N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

C80H85N19O4 — CID 157306796

IUPACN-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NCCN1CCCC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c2n1
InChIInChI=1S/C28H28N6O2.C28H30N6O2.C24H27N7/c35-27(30-11-15-33-13-1-2-14-33)19-3-6-22(7-4-19)32-24-9-10-25(34-16-12-29-26(24)34)20-5-8-23-21(17-20)18-31-28(23)36;1-3-33(4-2)15-13-30-27(35)19-5-8-22(9-6-19)32-24-11-12-25(34-16-14-29-26(24)34)20-7-10-23-21(17-20)18-31-28(23)36;1-2-20(3-1)29-12-14-30(15-13-29)21-6-4-19(5-7-21)28-22-8-9-23(18-16-26-27-17-18)31-11-10-25-24(22)31/h3-10,12,16-17,32H,1-2,11,13-15,18H2,(H,30,35)(H,31,36);5-12,14,16-17,32H,3-4,13,15,18H2,1-2H3,(H,30,35)(H,31,36);4-11,16-17,20,28H,1-3,12-15H2,(H,26,27)
InChIKeyBCOPHFLZYGJUHZ-UHFFFAOYSA-N
MW1376.69 g/mol
LogP12.02
Rot. Bonds21

About N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 157306796) has the molecular formula C80H85N19O4 and a molecular weight of 1376.69 g/mol. Its IUPAC name is N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID157306796
Molecular FormulaC80H85N19O4
Molecular Weight1376.69 g/mol
Exact Mass1375.70
IUPAC NameN-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NCCN1CCCC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c2n1
InChIInChI=1S/C28H28N6O2.C28H30N6O2.C24H27N7/c35-27(30-11-15-33-13-1-2-14-33)19-3-6-22(7-4-19)32-24-9-10-25(34-16-12-29-26(24)34)20-5-8-23-21(17-20)18-31-28(23)36;1-3-33(4-2)15-13-30-27(35)19-5-8-22(9-6-19)32-24-11-12-25(34-16-14-29-26(24)34)20-7-10-23-21(17-20)18-31-28(23)36;1-2-20(3-1)29-12-14-30(15-13-29)21-6-4-19(5-7-21)28-22-8-9-23(18-16-26-27-17-18)31-11-10-25-24(22)31/h3-10,12,16-17,32H,1-2,11,13-15,18H2,(H,30,35)(H,31,36);5-12,14,16-17,32H,3-4,13,15,18H2,1-2H3,(H,30,35)(H,31,36);4-11,16-17,20,28H,1-3,12-15H2,(H,26,27)
InChIKeyBCOPHFLZYGJUHZ-UHFFFAOYSA-N
XLogP12.02
TPSA246.03 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001376.69
LogP ≤ 512.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

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Related Compounds

N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 155599246
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442557
N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156013966
5-[3-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171482727
5-[4-[4-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172466076
5-[3-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172468348
US11014929, Example 7
CID 134327113
5-[4-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172468396
N-[4-[[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177641549
N-[4-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177642042
N-[4-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177645031
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-(1H-pyrazol-5-yl)-1H-indazole-4-carboxamide
CID 155167550

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 157306796) is N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide is CCN(CC)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NCCN1CCCC1)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c2n1.
What is the InChIKey of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is BCOPHFLZYGJUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C28H30N6O2.C24H27N7/c35-27(30-11-15-33-13-1-2-14-33)19-3-6-22(7-4-19)32-24-9-10-25(34-16-12-29-26(24)34)20-5-8-23-21(17-20)18-31-28(23)36;1-3-33(4-2)15-13-30-27(35)19-5-8-22(9-6-19)32-24-11-12-25(34-16-14-29-26(24)34)20-7-10-23-21(17-20)18-31-28(23)36;1-2-20(3-1)29-12-14-30(15-13-29)21-6-4-19(5-7-21)28-22-8-9-23(18-16-26-27-17-18)31-11-10-25-24(22)31/h3-10,12,16-17,32H,1-2,11,13-15,18H2,(H,30,35)(H,31,36);5-12,14,16-17,32H,3-4,13,15,18H2,1-2H3,(H,30,35)(H,31,36);4-11,16-17,20,28H,1-3,12-15H2,(H,26,27).
What are the key properties of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide?
N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 1376.69 g/mol, XLogP of 12.02, 21 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[2-(diethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 157306796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).