tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate

C31H31N5O2 — CID 66665600

IUPACtert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccc(-c5cn[nH]c5)cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C31H31N5O2/c1-30(2,3)38-29(37)35-31(16-7-17-31)25-13-10-21(11-14-25)27-28(22-8-5-4-6-9-22)36-20-23(12-15-26(36)34-27)24-18-32-33-19-24/h4-6,8-15,18-20H,7,16-17H2,1-3H3,(H,32,33)(H,35,37)
InChIKeyLMBNRLJDQYQLOR-UHFFFAOYSA-N
MW505.62 g/mol
LogP6.96
Rot. Bonds5

About tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate (PubChem CID 66665600) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
PubChem CID66665600
Molecular FormulaC31H31N5O2
Molecular Weight505.62 g/mol
Exact Mass505.25
IUPAC Nametert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccc(-c5cn[nH]c5)cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C31H31N5O2/c1-30(2,3)38-29(37)35-31(16-7-17-31)25-13-10-21(11-14-25)27-28(22-8-5-4-6-9-22)36-20-23(12-15-26(36)34-27)24-18-32-33-19-24/h4-6,8-15,18-20H,7,16-17H2,1-3H3,(H,32,33)(H,35,37)
InChIKeyLMBNRLJDQYQLOR-UHFFFAOYSA-N
XLogP6.96
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11098041, Example 55
CID 121249709
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
ethyl N-[7-[(2E)-2-benzylidenehydrazinyl]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
CID 14530460
4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyrazol-4-yl]-2-[4-(dimethylaminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24816055
N-[4-(4-{2-[(Dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1-ethyl-1H-pyrazol-3-yl)phenyl]-N''-phenylurea
CID 46237019
1-[4-[4-[2-[[2-(dimethylamino)ethylamino]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-3-phenylurea
CID 46237141
N-Phenyl-N'-{4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}urea
CID 46888585
N-{4-[1-(1,1-Dimethylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl}-N''-phenylurea
CID 46888607
N-{4-[1-(1,1-Dimethylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N''-phenylurea
CID 46888608
3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 57401258
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol
CID 59473148
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 59473280

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate (CID 66665600) is tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccc(-c5cn[nH]c5)cn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is LMBNRLJDQYQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-30(2,3)38-29(37)35-31(16-7-17-31)25-13-10-21(11-14-25)27-28(22-8-5-4-6-9-22)36-20-23(12-15-26(36)34-27)24-18-32-33-19-24/h4-6,8-15,18-20H,7,16-17H2,1-3H3,(H,32,33)(H,35,37).
What are the key properties of tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 505.62 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 66665600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).