3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide

C27H31FN10OS — CID 143756143

IUPAC3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cn2c(C3=CN(CCNC(=O)c4ccncc4F)NC3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H31FN10OS/c1-18-15-38-23(19-12-32-37(16-19)10-7-30-27(39)21-5-6-29-13-22(21)28)14-31-26(38)25(33-18)34-24-11-20(35-40-24)17-36-8-3-2-4-9-36/h5-6,11,13-16,32H,2-4,7-10,12,17H2,1H3,(H,30,39)(H,33,34)
InChIKeySZTBQBIGZYOEOZ-UHFFFAOYSA-N
MW562.68 g/mol
LogP3.35
Rot. Bonds9

About 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide

3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 143756143) has the molecular formula C27H31FN10OS and a molecular weight of 562.68 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID143756143
Molecular FormulaC27H31FN10OS
Molecular Weight562.68 g/mol
Exact Mass562.24
IUPAC Name3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cn2c(C3=CN(CCNC(=O)c4ccncc4F)NC3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H31FN10OS/c1-18-15-38-23(19-12-32-37(16-19)10-7-30-27(39)21-5-6-29-13-22(21)28)14-31-26(38)25(33-18)34-24-11-20(35-40-24)17-36-8-3-2-4-9-36/h5-6,11,13-16,32H,2-4,7-10,12,17H2,1H3,(H,30,39)(H,33,34)
InChIKeySZTBQBIGZYOEOZ-UHFFFAOYSA-N
XLogP3.35
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide (CID 143756143) is 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide is Cc1cn2c(C3=CN(CCNC(=O)c4ccncc4F)NC3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is SZTBQBIGZYOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN10OS/c1-18-15-38-23(19-12-32-37(16-19)10-7-30-27(39)21-5-6-29-13-22(21)28)14-31-26(38)25(33-18)34-24-11-20(35-40-24)17-36-8-3-2-4-9-36/h5-6,11,13-16,32H,2-4,7-10,12,17H2,1H3,(H,30,39)(H,33,34).
What are the key properties of 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide?
3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 562.68 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,5-dihydropyrazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 143756143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).