1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

C69H85N13O9 — CID 159124984

IUPAC1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@@H](CO)c3ccccc3)ccc21.CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@@H](c3ccccc3)[C@@H](C)O)cnc21.CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@H](CO)c3ccccc3)ccc21
InChIInChI=1S/C23H29N5O3.2C23H28N4O3/c1-3-28-22-18(14-25-28)21(26-17-9-11-31-12-10-17)19(13-24-22)23(30)27-20(15(2)29)16-7-5-4-6-8-16;2*1-2-27-21-9-8-18(23(29)26-20(15-28)16-6-4-3-5-7-16)22(19(21)14-24-27)25-17-10-12-30-13-11-17/h4-8,13-15,17,20,29H,3,9-12H2,1-2H3,(H,24,26)(H,27,30);2*3-9,14,17,20,25,28H,2,10-13,15H2,1H3,(H,26,29)/t15-,20-;2*20-/m110/s1
InChIKeyKGDXMYMTHYGWGD-JTAFJZDCSA-N
MW1240.52 g/mol
LogP9.11
Rot. Bonds21

About 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 159124984) has the molecular formula C69H85N13O9 and a molecular weight of 1240.52 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID159124984
Molecular FormulaC69H85N13O9
Molecular Weight1240.52 g/mol
Exact Mass1239.66
IUPAC Name1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@@H](CO)c3ccccc3)ccc21.CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@@H](c3ccccc3)[C@@H](C)O)cnc21.CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@H](CO)c3ccccc3)ccc21
InChIInChI=1S/C23H29N5O3.2C23H28N4O3/c1-3-28-22-18(14-25-28)21(26-17-9-11-31-12-10-17)19(13-24-22)23(30)27-20(15(2)29)16-7-5-4-6-8-16;2*1-2-27-21-9-8-18(23(29)26-20(15-28)16-6-4-3-5-7-16)22(19(21)14-24-27)25-17-10-12-30-13-11-17/h4-8,13-15,17,20,29H,3,9-12H2,1-2H3,(H,24,26)(H,27,30);2*3-9,14,17,20,25,28H,2,10-13,15H2,1H3,(H,26,29)/t15-,20-;2*20-/m110/s1
InChIKeyKGDXMYMTHYGWGD-JTAFJZDCSA-N
XLogP9.11
TPSA278.12 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.52
LogP ≤ 59.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

4-(cyclohexylamino)-1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247536
N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11488222
methyl 3-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 11166868
1-ethyl-N-[(1R)-1-(4-ethylphenyl)propyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247337
4-(cyclohexylamino)-1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247480
N-[1-(4-chlorophenyl)ethyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11430270
N-[1-(3,5-dimethylphenyl)propyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69246820
N-[1-(2,3-dimethylphenyl)ethyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69246134
N-[1-(4-chlorophenyl)propyl]-4-(cyclohexylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247510
1-ethyl-4-(oxan-4-ylamino)-N-[2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11340532
N-(2-amino-2-oxoethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007590
N-[[2-(dimethylamino)phenyl]methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011655

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 159124984) is 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@@H](CO)c3ccccc3)ccc21.CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@@H](c3ccccc3)[C@@H](C)O)cnc21.CCn1ncc2c(NC3CCOCC3)c(C(=O)N[C@H](CO)c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KGDXMYMTHYGWGD-JTAFJZDCSA-N. The full InChI is InChI=1S/C23H29N5O3.2C23H28N4O3/c1-3-28-22-18(14-25-28)21(26-17-9-11-31-12-10-17)19(13-24-22)23(30)27-20(15(2)29)16-7-5-4-6-8-16;2*1-2-27-21-9-8-18(23(29)26-20(15-28)16-6-4-3-5-7-16)22(19(21)14-24-27)25-17-10-12-30-13-11-17/h4-8,13-15,17,20,29H,3,9-12H2,1-2H3,(H,24,26)(H,27,30);2*3-9,14,17,20,25,28H,2,10-13,15H2,1H3,(H,26,29)/t15-,20-;2*20-/m110/s1.
What are the key properties of 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 1240.52 g/mol, XLogP of 9.11, 21 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(oxan-4-ylamino)indazole-5-carboxamide;1-ethyl-N-[(1S,2R)-2-hydroxy-1-phenylpropyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 159124984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).