[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate

C23H32N4O4 — CID 142741041

IUPAC[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C23H32N4O4/c1-23(2,3)25-22(30)31-13-19(28)26-9-4-5-16(12-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27/h8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30)
InChIKeyHTVYOGJRHGKKID-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.01
Rot. Bonds5

About [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate

[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate (PubChem CID 142741041) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate
PubChem CID142741041
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
InChIInChI=1S/C23H32N4O4/c1-23(2,3)25-22(30)31-13-19(28)26-9-4-5-16(12-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27/h8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30)
InChIKeyHTVYOGJRHGKKID-UHFFFAOYSA-N
XLogP3.01
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
CID 10050976
tert-butyl 2-(1-hydroxy-2-pyridin-4-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 57786857
[3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(4-hydroxybutyl)carbamate
CID 57839196
N-[(3S,5R)-5-[hydroxy(pyridin-2-yl)methyl]piperidin-3-yl]-1-(4-methoxybutyl)-N-(2-methylpropyl)benzimidazole-2-carboxamide
CID 58355164
tert-butyl (3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl)carbonyl)(2-methylpropyl)amino)piperidine-1-carboxylate
CID 58355751
[3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
CID 58783760
tert-butyl N-[1-[[1-[5-(hydroxymethyl)imidazo[1,5-a]pyridin-3-yl]-2-phenylmethoxyethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 58784082
[3-[1-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(4-hydroxybutyl)carbamate
CID 58784101
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
CID 58784224
tert-butyl (5S)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylate
CID 59356601
N-[(3S)-5-[hydroxy(pyridin-2-yl)methyl]piperidin-3-yl]-1-(4-methoxybutyl)-N-(2-methylpropyl)benzimidazole-2-carboxamide
CID 59356617
(3R,5S)-3-[hydroxy(pyridin-2-yl)methyl]-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylic acid
CID 68664983

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate?
The IUPAC name of [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate (CID 142741041) is [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate?
The canonical SMILES for [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.
What is the InChIKey of [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate?
The InChIKey is HTVYOGJRHGKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-23(2,3)25-22(30)31-13-19(28)26-9-4-5-16(12-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27/h8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30).
What are the key properties of [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate?
[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate has a molecular weight of 428.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl] N-tert-butylcarbamate is sourced from PubChem (CID 142741041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).