3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide

C120H133F2N29O14 — CID 159878556

IUPAC3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(OCC4CCCC4)nn(C)c3c2)nc1.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3nccnc3N)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3F)cc21
InChIInChI=1S/C22H25N5O.C21H24N4O2.C20H21FN4O2.C20H24N6O2.C19H19FN4O4.C18H20N6O3/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-14-7-10-18(22-12-14)20(26)23-16-8-9-17-19(11-16)25(2)24-21(17)27-13-15-5-3-4-6-15;1-25-18-10-15(23-19(26)17-9-6-14(21)11-22-17)7-8-16(18)20(24-25)27-12-13-4-2-3-5-13;1-26-16-10-14(24-19(27)17-15(21)8-5-9-22-17)11-23-18(16)20(25-26)28-12-13-6-3-2-4-7-13;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13;1-24-14-8-12(22-17(25)15-16(19)21-6-5-20-15)2-3-13(14)18(23-24)27-10-11-4-7-26-9-11/h5,8-12,15H,2-4,6-7,13-14H2,1H3,(H,24,25);7-12,15H,3-6,13H2,1-2H3,(H,23,26);6-11,13H,2-5,12H2,1H3,(H,23,26);5,8-11,13H,2-4,6-7,12,21H2,1H3,(H,24,27);2-6,9,13H,7-8,10-11H2,1H3,(H,22,25);2-3,5-6,8,11H,4,7,9-10H2,1H3,(H2,19,21)(H,22,25)/t;;;;13-;/m....0./s1
InChIKeyNTFQKGQZWPSEDK-VCMMRISDSA-N
MW2243.57 g/mol
LogP19.25
Rot. Bonds29

About 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide

3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 159878556) has the molecular formula C120H133F2N29O14 and a molecular weight of 2243.57 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide
PubChem CID159878556
Molecular FormulaC120H133F2N29O14
Molecular Weight2243.57 g/mol
Exact Mass2242.06
IUPAC Name3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(OCC4CCCC4)nn(C)c3c2)nc1.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3nccnc3N)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3F)cc21
InChIInChI=1S/C22H25N5O.C21H24N4O2.C20H21FN4O2.C20H24N6O2.C19H19FN4O4.C18H20N6O3/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-14-7-10-18(22-12-14)20(26)23-16-8-9-17-19(11-16)25(2)24-21(17)27-13-15-5-3-4-6-15;1-25-18-10-15(23-19(26)17-9-6-14(21)11-22-17)7-8-16(18)20(24-25)27-12-13-4-2-3-5-13;1-26-16-10-14(24-19(27)17-15(21)8-5-9-22-17)11-23-18(16)20(25-26)28-12-13-6-3-2-4-7-13;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13;1-24-14-8-12(22-17(25)15-16(19)21-6-5-20-15)2-3-13(14)18(23-24)27-10-11-4-7-26-9-11/h5,8-12,15H,2-4,6-7,13-14H2,1H3,(H,24,25);7-12,15H,3-6,13H2,1-2H3,(H,23,26);6-11,13H,2-5,12H2,1H3,(H,23,26);5,8-11,13H,2-4,6-7,12,21H2,1H3,(H,24,27);2-6,9,13H,7-8,10-11H2,1H3,(H,22,25);2-3,5-6,8,11H,4,7,9-10H2,1H3,(H2,19,21)(H,22,25)/t;;;;13-;/m....0./s1
InChIKeyNTFQKGQZWPSEDK-VCMMRISDSA-N
XLogP19.25
TPSA515.04 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.57
LogP ≤ 519.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide (CID 159878556) is 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(OCC4CCCC4)nn(C)c3c2)nc1.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3nccnc3N)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3F)cc21.
What is the InChIKey of 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide?
The InChIKey is NTFQKGQZWPSEDK-VCMMRISDSA-N. The full InChI is InChI=1S/C22H25N5O.C21H24N4O2.C20H21FN4O2.C20H24N6O2.C19H19FN4O4.C18H20N6O3/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-14-7-10-18(22-12-14)20(26)23-16-8-9-17-19(11-16)25(2)24-21(17)27-13-15-5-3-4-6-15;1-25-18-10-15(23-19(26)17-9-6-14(21)11-22-17)7-8-16(18)20(24-25)27-12-13-4-2-3-5-13;1-26-16-10-14(24-19(27)17-15(21)8-5-9-22-17)11-23-18(16)20(25-26)28-12-13-6-3-2-4-7-13;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13;1-24-14-8-12(22-17(25)15-16(19)21-6-5-20-15)2-3-13(14)18(23-24)27-10-11-4-7-26-9-11/h5,8-12,15H,2-4,6-7,13-14H2,1H3,(H,24,25);7-12,15H,3-6,13H2,1-2H3,(H,23,26);6-11,13H,2-5,12H2,1H3,(H,23,26);5,8-11,13H,2-4,6-7,12,21H2,1H3,(H,24,27);2-6,9,13H,7-8,10-11H2,1H3,(H,22,25);2-3,5-6,8,11H,4,7,9-10H2,1H3,(H2,19,21)(H,22,25)/t;;;;13-;/m....0./s1.
What are the key properties of 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide?
3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 2243.57 g/mol, XLogP of 19.25, 29 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 159878556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).