5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide

C23H27ClFN5O2 — CID 166931131

IUPAC5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide
SMILESCc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)NC3CCC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C23H27ClFN5O2/c1-11(2)32-20-15(10-16(24)18(25)17(20)23(31)29-14-6-5-7-14)12(3)22-28-13(4)19-21(26)27-8-9-30(19)22/h8-12,14H,5-7H2,1-4H3,(H2,26,27)(H,29,31)/t12-/m0/s1
InChIKeyHLTSNQDLEIPGBS-LBPRGKRZSA-N
MW459.95 g/mol
LogP4.63
Rot. Bonds6

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

5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide (PubChem CID 166931131) has the molecular formula C23H27ClFN5O2 and a molecular weight of 459.95 g/mol. Its IUPAC name is 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide
PubChem CID166931131
Molecular FormulaC23H27ClFN5O2
Molecular Weight459.95 g/mol
Exact Mass459.18
IUPAC Name5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide
SMILESCc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)NC3CCC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C23H27ClFN5O2/c1-11(2)32-20-15(10-16(24)18(25)17(20)23(31)29-14-6-5-7-14)12(3)22-28-13(4)19-21(26)27-8-9-30(19)22/h8-12,14H,5-7H2,1-4H3,(H2,26,27)(H,29,31)/t12-/m0/s1
InChIKeyHLTSNQDLEIPGBS-LBPRGKRZSA-N
XLogP4.63
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(3R)-5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 57404500
US11130767, Example 2
CID 118574254
US11130767, Example 2B
CID 118574286
US11130767, Example 2A
CID 118574334
US11130767, Example 2C
CID 118574341
US11130767, Example 2D
CID 118574346
US10183940, Example 61
CID 121339301
US10183940, Example 52
CID 121339609
US10183940, Example 50
CID 121339663
4-chloro-2-methoxy-N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]benzamide
CID 137637162
US10183940, Example 48
CID 121339147
US10183940, Example 60
CID 121339289

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide?
The IUPAC name of 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide (CID 166931131) is 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide?
The canonical SMILES for 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide is Cc1nc([C@@H](C)c2cc(Cl)c(F)c(C(=O)NC3CCC3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide?
The InChIKey is HLTSNQDLEIPGBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H27ClFN5O2/c1-11(2)32-20-15(10-16(24)18(25)17(20)23(31)29-14-6-5-7-14)12(3)22-28-13(4)19-21(26)27-8-9-30(19)22/h8-12,14H,5-7H2,1-4H3,(H2,26,27)(H,29,31)/t12-/m0/s1.
What are the key properties of 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide?
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide has a molecular weight of 459.95 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-cyclobutyl-2-fluoro-6-propan-2-yloxybenzamide is sourced from PubChem (CID 166931131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).