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

C19H22ClN3O2 — CID 138580498

IUPACN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
SMILESO=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCCC1
InChIInChI=1S/C19H22ClN3O2/c20-11-5-15(14-9-21-23-16(14)6-11)19(25)7-12-13(8-19)17(12)22-18(24)10-3-1-2-4-10/h5-6,9-10,12-13,17,25H,1-4,7-8H2,(H,21,23)(H,22,24)/t12-,13+,17?,19?
InChIKeyRFPADUMFUISARU-VIXCQHBHSA-N
MW359.86 g/mol
LogP3.12
Rot. Bonds3

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

N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide (PubChem CID 138580498) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
PubChem CID138580498
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
SMILESO=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCCC1
InChIInChI=1S/C19H22ClN3O2/c20-11-5-15(14-9-21-23-16(14)6-11)19(25)7-12-13(8-19)17(12)22-18(24)10-3-1-2-4-10/h5-6,9-10,12-13,17,25H,1-4,7-8H2,(H,21,23)(H,22,24)/t12-,13+,17?,19?
InChIKeyRFPADUMFUISARU-VIXCQHBHSA-N
XLogP3.12
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
CID 138580623
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
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]-5-cyanopyridine-3-carboxamide
CID 138580525
(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-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(methanesulfonamido)benzamide
CID 138580392
N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
CID 138580397
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255

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]cyclopentanecarboxamide?
The IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide (CID 138580498) is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide is O=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCCC1.
What is the InChIKey of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide?
The InChIKey is RFPADUMFUISARU-VIXCQHBHSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-11-5-15(14-9-21-23-16(14)6-11)19(25)7-12-13(8-19)17(12)22-18(24)10-3-1-2-4-10/h5-6,9-10,12-13,17,25H,1-4,7-8H2,(H,21,23)(H,22,24)/t12-,13+,17?,19?.
What are the key properties of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide?
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 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]cyclopentanecarboxamide is sourced from PubChem (CID 138580498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).