[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid

C32H32N6O2 — CID 67305048

IUPAC[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C32H32N6O2/c1-31(2,3)38(30(39)40)32(18-8-19-32)22-12-14-23(15-13-22)37-28(24-11-7-20-34-27(24)33)36-26-17-16-25(35-29(26)37)21-9-5-4-6-10-21/h4-7,9-17,20H,8,18-19H2,1-3H3,(H2,33,34)(H,39,40)
InChIKeyNYTWKXLSIKOXEK-UHFFFAOYSA-N
MW532.65 g/mol
LogP6.89
Rot. Bonds5

About [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid

[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid (PubChem CID 67305048) has the molecular formula C32H32N6O2 and a molecular weight of 532.65 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
PubChem CID67305048
Molecular FormulaC32H32N6O2
Molecular Weight532.65 g/mol
Exact Mass532.26
IUPAC Name[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C32H32N6O2/c1-31(2,3)38(30(39)40)32(18-8-19-32)22-12-14-23(15-13-22)37-28(24-11-7-20-34-27(24)33)36-26-17-16-25(35-29(26)37)21-9-5-4-6-10-21/h4-7,9-17,20H,8,18-19H2,1-3H3,(H2,33,34)(H,39,40)
InChIKeyNYTWKXLSIKOXEK-UHFFFAOYSA-N
XLogP6.89
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid
CID 71138450
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 67311603
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 53262499
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731
tert-butyl N-[3-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]oxetan-3-yl]carbamate
CID 123491341
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-N-methoxybenzamide
CID 171069098
1-[4-[3-[2-(2-amino-3-pyridinyl)-3-[4-[1-(chloroamino)cyclobutyl]phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 89309568
N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
CID 58345295
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
3-[4-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperazin-1-yl]butan-2-one
CID 146619451

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid?
The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid (CID 67305048) is [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid.
What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid?
The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1.
What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid?
The InChIKey is NYTWKXLSIKOXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2/c1-31(2,3)38(30(39)40)32(18-8-19-32)22-12-14-23(15-13-22)37-28(24-11-7-20-34-27(24)33)36-26-17-16-25(35-29(26)37)21-9-5-4-6-10-21/h4-7,9-17,20H,8,18-19H2,1-3H3,(H2,33,34)(H,39,40).
What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid?
[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid has a molecular weight of 532.65 g/mol, XLogP of 6.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67305048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).