N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C38H42N12O3 — CID 167107302

IUPACN-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cnc2c(C(=O)Nc3ccc4nn(C5CCC(CN6CCC(c7ccn8c(N9CCC(=O)NC9=O)cnc8c7)CC6)CC5)cc4c3)cnn2c1
InChIInChI=1S/C38H42N12O3/c1-39-29-18-41-36-31(19-42-50(36)23-29)37(52)43-28-4-7-32-27(16-28)22-49(45-32)30-5-2-24(3-6-30)21-46-12-8-25(9-13-46)26-10-14-47-33(17-26)40-20-35(47)48-15-11-34(51)44-38(48)53/h4,7,10,14,16-20,22-25,30,39H,2-3,5-6,8-9,11-13,15,21H2,1H3,(H,43,52)(H,44,51,53)
InChIKeyBPDBOWRCJISMRT-UHFFFAOYSA-N
MW714.84 g/mol
LogP5.08
Rot. Bonds8

About N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167107302) has the molecular formula C38H42N12O3 and a molecular weight of 714.84 g/mol. Its IUPAC name is N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167107302
Molecular FormulaC38H42N12O3
Molecular Weight714.84 g/mol
Exact Mass714.35
IUPAC NameN-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cnc2c(C(=O)Nc3ccc4nn(C5CCC(CN6CCC(c7ccn8c(N9CCC(=O)NC9=O)cnc8c7)CC6)CC5)cc4c3)cnn2c1
InChIInChI=1S/C38H42N12O3/c1-39-29-18-41-36-31(19-42-50(36)23-29)37(52)43-28-4-7-32-27(16-28)22-49(45-32)30-5-2-24(3-6-30)21-46-12-8-25(9-13-46)26-10-14-47-33(17-26)40-20-35(47)48-15-11-34(51)44-38(48)53/h4,7,10,14,16-20,22-25,30,39H,2-3,5-6,8-9,11-13,15,21H2,1H3,(H,43,52)(H,44,51,53)
InChIKeyBPDBOWRCJISMRT-UHFFFAOYSA-N
XLogP5.08
TPSA159.09 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.84
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 163400257
N-[2-[3-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167107307
N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167107402
2-[4-[[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]piperidin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504571
2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504569
2-[4-[[4-[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]ethyl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504619
2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 166472178
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 163400366
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740894
N-[[4-[6-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]propyl]piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767820
2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504551
6-chloro-N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167250755

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167107302) is N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cnc2c(C(=O)Nc3ccc4nn(C5CCC(CN6CCC(c7ccn8c(N9CCC(=O)NC9=O)cnc8c7)CC6)CC5)cc4c3)cnn2c1.
What is the InChIKey of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BPDBOWRCJISMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N12O3/c1-39-29-18-41-36-31(19-42-50(36)23-29)37(52)43-28-4-7-32-27(16-28)22-49(45-32)30-5-2-24(3-6-30)21-46-12-8-25(9-13-46)26-10-14-47-33(17-26)40-20-35(47)48-15-11-34(51)44-38(48)53/h4,7,10,14,16-20,22-25,30,39H,2-3,5-6,8-9,11-13,15,21H2,1H3,(H,43,52)(H,44,51,53).
What are the key properties of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 714.84 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167107302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).