1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole

C49H49N11 — CID 145253751

IUPAC1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
SMILESCC(C)C.c1ccc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)nc1.c1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)cc34)cc2c1
InChIInChI=1S/C26H26N6.C19H13N5.C4H10/c1-2-5-17(4-1)13-27-14-18-10-21(16-28-15-18)19-7-8-23-22(11-19)25(32-31-23)24-12-20-6-3-9-29-26(20)30-24;1-2-8-20-15(5-1)12-6-7-16-14(10-12)18(24-23-16)17-11-13-4-3-9-21-19(13)22-17;1-4(2)3/h3,6-12,15-17,27H,1-2,4-5,13-14H2,(H,29,30)(H,31,32);1-11H,(H,21,22)(H,23,24);4H,1-3H3
InChIKeyCHKCROSTIPYWHM-UHFFFAOYSA-N
MW792.01 g/mol
LogP11.28
Rot. Bonds8

About 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole

1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole (PubChem CID 145253751) has the molecular formula C49H49N11 and a molecular weight of 792.01 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
PubChem CID145253751
Molecular FormulaC49H49N11
Molecular Weight792.01 g/mol
Exact Mass791.42
IUPAC Name1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
SMILESCC(C)C.c1ccc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)nc1.c1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)cc34)cc2c1
InChIInChI=1S/C26H26N6.C19H13N5.C4H10/c1-2-5-17(4-1)13-27-14-18-10-21(16-28-15-18)19-7-8-23-22(11-19)25(32-31-23)24-12-20-6-3-9-29-26(20)30-24;1-2-8-20-15(5-1)12-6-7-16-14(10-12)18(24-23-16)17-11-13-4-3-9-21-19(13)22-17;1-4(2)3/h3,6-12,15-17,27H,1-2,4-5,13-14H2,(H,29,30)(H,31,32);1-11H,(H,21,22)(H,23,24);4H,1-3H3
InChIKeyCHKCROSTIPYWHM-UHFFFAOYSA-N
XLogP11.28
TPSA152.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.01
LogP ≤ 511.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole with MolForge

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Related Compounds

1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137019554
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111841
N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137112192
1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 145252802
N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137116508
1-cyclopentyl-N-[[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137489170
1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137115230
1-cyclopentyl-N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136509565
2-cyclohexyl-N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137111562
N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137111969
1-cyclopentyl-N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137114583
1-cyclopentyl-N-[[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137134153

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole (CID 145253751) is 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole is CC(C)C.c1ccc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)nc1.c1cnc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CNCC6CCCC6)c5)cc34)cc2c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
The InChIKey is CHKCROSTIPYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6.C19H13N5.C4H10/c1-2-5-17(4-1)13-27-14-18-10-21(16-28-15-18)19-7-8-23-22(11-19)25(32-31-23)24-12-20-6-3-9-29-26(20)30-24;1-2-8-20-15(5-1)12-6-7-16-14(10-12)18(24-23-16)17-11-13-4-3-9-21-19(13)22-17;1-4(2)3/h3,6-12,15-17,27H,1-2,4-5,13-14H2,(H,29,30)(H,31,32);1-11H,(H,21,22)(H,23,24);4H,1-3H3.
What are the key properties of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole?
1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole has a molecular weight of 792.01 g/mol, XLogP of 11.28, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-methylpropane;5-pyridin-2-yl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole is sourced from PubChem (CID 145253751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).