N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide

C31H33N5O2 — CID 118735397

IUPACN-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@H](CC1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1
InChIInChI=1S/C31H33N5O2/c37-25-17-23-11-12-24(18-25)36(23)22-9-6-20(7-10-22)30-26-16-21(8-13-27(26)34-35-30)31(38)33-29(15-19-4-5-19)28-3-1-2-14-32-28/h1-3,6-10,13-14,16,19,23-25,29,37H,4-5,11-12,15,17-18H2,(H,33,38)(H,34,35)/t23-,24-,29+/m0/s1
InChIKeyGJGMLBSXNZXSBX-NDIVSWGXSA-N
MW507.64 g/mol
LogP5.39
Rot. Bonds7

About N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide

N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide (PubChem CID 118735397) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
PubChem CID118735397
Molecular FormulaC31H33N5O2
Molecular Weight507.64 g/mol
Exact Mass507.26
IUPAC NameN-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@H](CC1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1
InChIInChI=1S/C31H33N5O2/c37-25-17-23-11-12-24(18-25)36(23)22-9-6-20(7-10-22)30-26-16-21(8-13-27(26)34-35-30)31(38)33-29(15-19-4-5-19)28-3-1-2-14-32-28/h1-3,6-10,13-14,16,19,23-25,29,37H,4-5,11-12,15,17-18H2,(H,33,38)(H,34,35)/t23-,24-,29+/m0/s1
InChIKeyGJGMLBSXNZXSBX-NDIVSWGXSA-N
XLogP5.39
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-3-[3-(pyridin-2-ylacetyl)benzyl]-1,3-diazepan-2-one
CID 515879
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735390
N-[(S)-cyclopentyl(pyrimidin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735393
N-isopropyl-3-(5-(4-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324193
N-[(S)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 73670208
N-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751333
N-[(S)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751336
N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751337
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-1H-indazole-5-carboxamide
CID 117751339
5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146240883
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444896

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide (CID 118735397) is N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide is O=C(N[C@H](CC1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1.
What is the InChIKey of N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is GJGMLBSXNZXSBX-NDIVSWGXSA-N. The full InChI is InChI=1S/C31H33N5O2/c37-25-17-23-11-12-24(18-25)36(23)22-9-6-20(7-10-22)30-26-16-21(8-13-27(26)34-35-30)31(38)33-29(15-19-4-5-19)28-3-1-2-14-32-28/h1-3,6-10,13-14,16,19,23-25,29,37H,4-5,11-12,15,17-18H2,(H,33,38)(H,34,35)/t23-,24-,29+/m0/s1.
What are the key properties of N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide?
N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 118735397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).