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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide

C27H29FN10OS — CID 59503470

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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cn2c(-c3cnn(CCNC(=O)c4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H29FN10OS/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/h5-6,11-16H,2-4,7-10,17H2,1H3,(H,30,39)(H,33,34)
InChIKeyPOHNZDOQAODEFB-UHFFFAOYSA-N
MW560.66 g/mol
LogP4.05
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]pyrazol-1-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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 59503470) has the molecular formula C27H29FN10OS and a molecular weight of 560.66 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]pyrazol-1-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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID59503470
Molecular FormulaC27H29FN10OS
Molecular Weight560.66 g/mol
Exact Mass560.22
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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cn2c(-c3cnn(CCNC(=O)c4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H29FN10OS/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/h5-6,11-16H,2-4,7-10,17H2,1H3,(H,30,39)(H,33,34)
InChIKeyPOHNZDOQAODEFB-UHFFFAOYSA-N
XLogP4.05
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 54.05
H-Bond Donors ≤ 52
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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide with MolForge

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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]pyrazol-1-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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide (CID 59503470) 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]pyrazol-1-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]pyrazol-1-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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide is Cc1cn2c(-c3cnn(CCNC(=O)c4ccncc4F)c3)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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is POHNZDOQAODEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN10OS/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/h5-6,11-16H,2-4,7-10,17H2,1H3,(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]pyrazol-1-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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 560.66 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 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]pyrazol-1-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 59503470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).