N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide

C23H30N6O2 — CID 53022630

IUPACN-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(-n2c(CN3CCN(C(=O)NC(C)(C)C)CC3)nc3cccnc32)cc1
InChIInChI=1S/C23H30N6O2/c1-23(2,3)26-22(30)28-14-12-27(13-15-28)16-20-25-19-6-5-11-24-21(19)29(20)17-7-9-18(31-4)10-8-17/h5-11H,12-16H2,1-4H3,(H,26,30)
InChIKeyDCFRZDLUOLRGCJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.05
Rot. Bonds4

About N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide

N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 53022630) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
PubChem CID53022630
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(-n2c(CN3CCN(C(=O)NC(C)(C)C)CC3)nc3cccnc32)cc1
InChIInChI=1S/C23H30N6O2/c1-23(2,3)26-22(30)28-14-12-27(13-15-28)16-20-25-19-6-5-11-24-21(19)29(20)17-7-9-18(31-4)10-8-17/h5-11H,12-16H2,1-4H3,(H,26,30)
InChIKeyDCFRZDLUOLRGCJ-UHFFFAOYSA-N
XLogP3.05
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022625
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 94128979
N-(2-methoxy-5-methylphenyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022682
N-(2-chlorophenyl)-4-[[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022633
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051
N-(3-methoxypropyl)-4-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022675
N-butan-2-yl-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830761
N-(2,4-dimethoxyphenyl)-4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120938
N-[(2S)-butan-2-yl]-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 95089700
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
CID 46389083
N-(3-ethoxypropyl)-4-[[3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120831

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide (CID 53022630) is N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is COc1ccc(-n2c(CN3CCN(C(=O)NC(C)(C)C)CC3)nc3cccnc32)cc1.
What is the InChIKey of N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is DCFRZDLUOLRGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-23(2,3)26-22(30)28-14-12-27(13-15-28)16-20-25-19-6-5-11-24-21(19)29(20)17-7-9-18(31-4)10-8-17/h5-11H,12-16H2,1-4H3,(H,26,30).
What are the key properties of N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide?
N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53022630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).