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

C27H28ClFN6O3 — CID 134600821

IUPAC5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)NC4(CO)CC4)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H28ClFN6O3/c1-14(2)38-24-17(11-20-33-15(3)23-25(30)31-8-9-35(20)23)10-18(28)22(29)21(24)16-4-5-19(32-12-16)26(37)34-27(13-36)6-7-27/h4-5,8-10,12,14,36H,6-7,11,13H2,1-3H3,(H2,30,31)(H,34,37)
InChIKeyUPFJMSCGTCWPOM-UHFFFAOYSA-N
MW539.01 g/mol
LogP4.11
Rot. Bonds8

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

5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 134600821) has the molecular formula C27H28ClFN6O3 and a molecular weight of 539.01 g/mol. Its IUPAC name is 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID134600821
Molecular FormulaC27H28ClFN6O3
Molecular Weight539.01 g/mol
Exact Mass538.19
IUPAC Name5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)NC4(CO)CC4)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C27H28ClFN6O3/c1-14(2)38-24-17(11-20-33-15(3)23-25(30)31-8-9-35(20)23)10-18(28)22(29)21(24)16-4-5-19(32-12-16)26(37)34-27(13-36)6-7-27/h4-5,8-10,12,14,36H,6-7,11,13H2,1-3H3,(H2,30,31)(H,34,37)
InChIKeyUPFJMSCGTCWPOM-UHFFFAOYSA-N
XLogP4.11
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.01
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide (CID 134600821) is 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide is Cc1nc(Cc2cc(Cl)c(F)c(-c3ccc(C(=O)NC4(CO)CC4)nc3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is UPFJMSCGTCWPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN6O3/c1-14(2)38-24-17(11-20-33-15(3)23-25(30)31-8-9-35(20)23)10-18(28)22(29)21(24)16-4-5-19(32-12-16)26(37)34-27(13-36)6-7-27/h4-5,8-10,12,14,36H,6-7,11,13H2,1-3H3,(H2,30,31)(H,34,37).
What are the key properties of 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide?
5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 539.01 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 134600821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).