4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide

C23H27FN8O — CID 167501526

IUPAC4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc2c(N3C[C@@H](C)N[C@@H](C)C3)ncc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C23H27FN8O/c1-5-32-12-18-20(29-32)17(7-25-21(18)30-8-13(2)26-14(3)9-30)23(33)28-16-6-19(24)22-27-15(4)10-31(22)11-16/h6-7,10-14,26H,5,8-9H2,1-4H3,(H,28,33)/t13-,14+
InChIKeyKIPMVDAXPGGXIH-OKILXGFUSA-N
MW450.52 g/mol
LogP2.99
Rot. Bonds4

About 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide

4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 167501526) has the molecular formula C23H27FN8O and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID167501526
Molecular FormulaC23H27FN8O
Molecular Weight450.52 g/mol
Exact Mass450.23
IUPAC Name4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc2c(N3C[C@@H](C)N[C@@H](C)C3)ncc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C23H27FN8O/c1-5-32-12-18-20(29-32)17(7-25-21(18)30-8-13(2)26-14(3)9-30)23(33)28-16-6-19(24)22-27-15(4)10-31(22)11-16/h6-7,10-14,26H,5,8-9H2,1-4H3,(H,28,33)/t13-,14+
InChIKeyKIPMVDAXPGGXIH-OKILXGFUSA-N
XLogP2.99
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501520
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3S,5R)-3-methyl-5-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167501435
4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide
CID 167500872
CID 167501346
CID 167501346
8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500756
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
CID 167502145
4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
CID 167500947
[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 176741432
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)indazole-7-carboxamide
CID 167502177
4-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
CID 167501775
4-(2,6-dimethylpiperidin-4-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501667

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide (CID 167501526) is 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide is CCn1cc2c(N3C[C@@H](C)N[C@@H](C)C3)ncc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.
What is the InChIKey of 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is KIPMVDAXPGGXIH-OKILXGFUSA-N. The full InChI is InChI=1S/C23H27FN8O/c1-5-32-12-18-20(29-32)17(7-25-21(18)30-8-13(2)26-14(3)9-30)23(33)28-16-6-19(24)22-27-15(4)10-31(22)11-16/h6-7,10-14,26H,5,8-9H2,1-4H3,(H,28,33)/t13-,14+.
What are the key properties of 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 167501526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).