2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine

C66H80N14 — CID 162139102

IUPAC2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESc1cc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc(N(CC2CC2)CC2CC2)c1.c1cc(NCC2CC2)cc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C35H43N7.C31H37N7/c1-2-9-27(8-1)37-31-13-6-20-42-33(30-18-19-36-35(39-30)38-28-10-3-4-11-28)32(40-34(31)42)26-7-5-12-29(21-26)41(22-24-14-15-24)23-25-16-17-25;1-2-9-23(8-1)34-27-13-6-18-38-29(26-16-17-32-31(36-26)35-24-10-3-4-11-24)28(37-30(27)38)22-7-5-12-25(19-22)33-20-21-14-15-21/h5-7,12-13,18-21,24-25,27-28,37H,1-4,8-11,14-17,22-23H2,(H,36,38,39);5-7,12-13,16-19,21,23-24,33-34H,1-4,8-11,14-15,20H2,(H,32,35,36)
InChIKeyZJROXROPQFENEF-UHFFFAOYSA-N
MW1069.46 g/mol
LogP14.78
Rot. Bonds20

About 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine

2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 162139102) has the molecular formula C66H80N14 and a molecular weight of 1069.46 g/mol. Its IUPAC name is 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID162139102
Molecular FormulaC66H80N14
Molecular Weight1069.46 g/mol
Exact Mass1068.67
IUPAC Name2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESc1cc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc(N(CC2CC2)CC2CC2)c1.c1cc(NCC2CC2)cc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C35H43N7.C31H37N7/c1-2-9-27(8-1)37-31-13-6-20-42-33(30-18-19-36-35(39-30)38-28-10-3-4-11-28)32(40-34(31)42)26-7-5-12-29(21-26)41(22-24-14-15-24)23-25-16-17-25;1-2-9-23(8-1)34-27-13-6-18-38-29(26-16-17-32-31(36-26)35-24-10-3-4-11-24)28(37-30(27)38)22-7-5-12-25(19-22)33-20-21-14-15-21/h5-7,12-13,18-21,24-25,27-28,37H,1-4,8-11,14-17,22-23H2,(H,36,38,39);5-7,12-13,16-19,21,23-24,33-34H,1-4,8-11,14-15,20H2,(H,32,35,36)
InChIKeyZJROXROPQFENEF-UHFFFAOYSA-N
XLogP14.78
TPSA149.55 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.46
LogP ≤ 514.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine 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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10275844
4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 10184407
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
CID 15954556
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
CID 150471195
3-[5-[2-[[(3R)-1-methylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 71159632
3-[5-[2-(piperidin-4-ylamino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzonitrile
CID 57433738
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91274271
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 143567388
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyridin-5-amine
CID 10164428
5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115398

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 162139102) is 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine is c1cc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc(N(CC2CC2)CC2CC2)c1.c1cc(NCC2CC2)cc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)c1.
What is the InChIKey of 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is ZJROXROPQFENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7.C31H37N7/c1-2-9-27(8-1)37-31-13-6-20-42-33(30-18-19-36-35(39-30)38-28-10-3-4-11-28)32(40-34(31)42)26-7-5-12-29(21-26)41(22-24-14-15-24)23-25-16-17-25;1-2-9-23(8-1)34-27-13-6-18-38-29(26-16-17-32-31(36-26)35-24-10-3-4-11-24)28(37-30(27)38)22-7-5-12-25(19-22)33-20-21-14-15-21/h5-7,12-13,18-21,24-25,27-28,37H,1-4,8-11,14-17,22-23H2,(H,36,38,39);5-7,12-13,16-19,21,23-24,33-34H,1-4,8-11,14-15,20H2,(H,32,35,36).
What are the key properties of 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine?
2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 1069.46 g/mol, XLogP of 14.78, 20 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 162139102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).