5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide

C26H28ClFN6O3 — CID 134600637

IUPAC5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)NCCO)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C26H28ClFN6O3/c1-13(2)37-23-17(14(3)25-33-15(4)22-24(29)30-7-9-34(22)25)11-18(27)21(28)20(23)16-5-6-19(32-12-16)26(36)31-8-10-35/h5-7,9,11-14,35H,8,10H2,1-4H3,(H2,29,30)(H,31,36)/t14-/m0/s1
InChIKeyOYRWRNUVOHPGLA-AWEZNQCLSA-N
MW527.00 g/mol
LogP4.14
Rot. Bonds8

About 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide

5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 134600637) has the molecular formula C26H28ClFN6O3 and a molecular weight of 527.00 g/mol. Its IUPAC name is 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID134600637
Molecular FormulaC26H28ClFN6O3
Molecular Weight527.00 g/mol
Exact Mass526.19
IUPAC Name5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)NCCO)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C26H28ClFN6O3/c1-13(2)37-23-17(14(3)25-33-15(4)22-24(29)30-7-9-34(22)25)11-18(27)21(28)20(23)16-5-6-19(32-12-16)26(36)31-8-10-35/h5-7,9,11-14,35H,8,10H2,1-4H3,(H2,29,30)(H,31,36)/t14-/m0/s1
InChIKeyOYRWRNUVOHPGLA-AWEZNQCLSA-N
XLogP4.14
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.00
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 134600637) is 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide is Cc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)NCCO)nc3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is OYRWRNUVOHPGLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H28ClFN6O3/c1-13(2)37-23-17(14(3)25-33-15(4)22-24(29)30-7-9-34(22)25)11-18(27)21(28)20(23)16-5-6-19(32-12-16)26(36)31-8-10-35/h5-7,9,11-14,35H,8,10H2,1-4H3,(H2,29,30)(H,31,36)/t14-/m0/s1.
What are the key properties of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide?
5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 527.00 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134600637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).