N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide

C20H16ClN5O2 — CID 138580525

IUPACN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide
SMILESN#Cc1cncc(C(=O)NC2[C@H]3CC(O)(c4cc(Cl)cc5[nH]ncc45)C[C@@H]23)c1
InChIInChI=1S/C20H16ClN5O2/c21-12-2-16(15-9-24-26-17(15)3-12)20(28)4-13-14(5-20)18(13)25-19(27)11-1-10(6-22)7-23-8-11/h1-3,7-9,13-14,18,28H,4-5H2,(H,24,26)(H,25,27)/t13-,14+,18?,20?
InChIKeyYIIVEIPUOVAJDI-UNEVHMSWSA-N
MW393.83 g/mol
LogP2.51
Rot. Bonds3

About N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide

N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide (PubChem CID 138580525) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide
PubChem CID138580525
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide
SMILESN#Cc1cncc(C(=O)NC2[C@H]3CC(O)(c4cc(Cl)cc5[nH]ncc45)C[C@@H]23)c1
InChIInChI=1S/C20H16ClN5O2/c21-12-2-16(15-9-24-26-17(15)3-12)20(28)4-13-14(5-20)18(13)25-19(27)11-1-10(6-22)7-23-8-11/h1-3,7-9,13-14,18,28H,4-5H2,(H,24,26)(H,25,27)/t13-,14+,18?,20?
InChIKeyYIIVEIPUOVAJDI-UNEVHMSWSA-N
XLogP2.51
TPSA114.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide
CID 138580384
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
CID 138580498
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(methanesulfonamido)benzamide
CID 138580392
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
CID 138580625
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
CID 155231247
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
CID 138580623
(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
CID 138580508
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide
CID 138580273
6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride
CID 155631307
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-6-(propylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
CID 155231237
N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide
CID 155231212
N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
CID 138580397

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide?
The IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide (CID 138580525) is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide?
The canonical SMILES for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide is N#Cc1cncc(C(=O)NC2[C@H]3CC(O)(c4cc(Cl)cc5[nH]ncc45)C[C@@H]23)c1.
What is the InChIKey of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide?
The InChIKey is YIIVEIPUOVAJDI-UNEVHMSWSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c21-12-2-16(15-9-24-26-17(15)3-12)20(28)4-13-14(5-20)18(13)25-19(27)11-1-10(6-22)7-23-8-11/h1-3,7-9,13-14,18,28H,4-5H2,(H,24,26)(H,25,27)/t13-,14+,18?,20?.
What are the key properties of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide?
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide is sourced from PubChem (CID 138580525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).