2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide

C26H31N5O3 — CID 169087595

IUPAC2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc3c(cnn3C3CCOCC3)c2)cc1C(=O)NC12CCC(O)(CC1)CC2
InChIInChI=1S/C26H31N5O3/c27-23-21(24(32)30-25-5-8-26(33,9-6-25)10-7-25)14-18(15-28-23)17-1-2-22-19(13-17)16-29-31(22)20-3-11-34-12-4-20/h1-2,13-16,20,33H,3-12H2,(H2,27,28)(H,30,32)
InChIKeyUKGORWFZJZZDLK-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.60
Rot. Bonds4

About 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide

2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide (PubChem CID 169087595) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide
PubChem CID169087595
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc3c(cnn3C3CCOCC3)c2)cc1C(=O)NC12CCC(O)(CC1)CC2
InChIInChI=1S/C26H31N5O3/c27-23-21(24(32)30-25-5-8-26(33,9-6-25)10-7-25)14-18(15-28-23)17-1-2-22-19(13-17)16-29-31(22)20-3-11-34-12-4-20/h1-2,13-16,20,33H,3-12H2,(H2,27,28)(H,30,32)
InChIKeyUKGORWFZJZZDLK-UHFFFAOYSA-N
XLogP3.60
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-phenylpyridine-3-carboxamide
CID 134202955
2-amino-5-[4-[1-(2-fluoroethyl)pyrrolidin-3-yl]phenyl]-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide
CID 134203030
bis[4-[[2-amino-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carbonyl]amino]-1-bicyclo[2.2.2]octanyl] (E)-but-2-enedioate
CID 138628909
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-(1'-propan-2-ylspiro[3H-2-benzofuran-1,4'-piperidine]-5-yl)pyridine-3-carboxamide
CID 169087534
2-amino-5-[1'-(oxan-4-yl)spiro[indene-3,4'-piperidine]-5-yl]pyridine-3-carboxylic acid
CID 169087557
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902
5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 121416628
5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 118249210
2-amino-N-(oxan-4-yl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 169087569
3-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-[3-(1-methylpyrazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 176706123
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
CID 118621625
2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 175443441

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide (CID 169087595) is 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide is Nc1ncc(-c2ccc3c(cnn3C3CCOCC3)c2)cc1C(=O)NC12CCC(O)(CC1)CC2.
What is the InChIKey of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide?
The InChIKey is UKGORWFZJZZDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c27-23-21(24(32)30-25-5-8-26(33,9-6-25)10-7-25)14-18(15-28-23)17-1-2-22-19(13-17)16-29-31(22)20-3-11-34-12-4-20/h1-2,13-16,20,33H,3-12H2,(H2,27,28)(H,30,32).
What are the key properties of 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide?
2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[1-(oxan-4-yl)indazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 169087595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).