5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid

C32H31FN6O3 — CID 121466824

IUPAC5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid
SMILESCC1C2C3C(C(C)C13c1nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c3c(N)nccn13)C2(C)C(=O)O
InChIInChI=1S/C32H31FN6O3/c1-14-22-24-23(31(22,3)30(41)42)15(2)32(14,24)29-38-25(26-27(34)36-10-11-39(26)29)19-7-6-18(12-20(19)33)28(40)37-21-13-17(8-9-35-21)16-4-5-16/h6-16,22-24H,4-5H2,1-3H3,(H2,34,36)(H,41,42)(H,35,37,40)
InChIKeyWRCHANGZNHLPII-UHFFFAOYSA-N
MW566.64 g/mol
LogP5.13
Rot. Bonds6

About 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid

5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid (PubChem CID 121466824) has the molecular formula C32H31FN6O3 and a molecular weight of 566.64 g/mol. Its IUPAC name is 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid
PubChem CID121466824
Molecular FormulaC32H31FN6O3
Molecular Weight566.64 g/mol
Exact Mass566.24
IUPAC Name5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid
SMILESCC1C2C3C(C(C)C13c1nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c3c(N)nccn13)C2(C)C(=O)O
InChIInChI=1S/C32H31FN6O3/c1-14-22-24-23(31(22,3)30(41)42)15(2)32(14,24)29-38-25(26-27(34)36-10-11-39(26)29)19-7-6-18(12-20(19)33)28(40)37-21-13-17(8-9-35-21)16-4-5-16/h6-16,22-24H,4-5H2,1-3H3,(H2,34,36)(H,41,42)(H,35,37,40)
InChIKeyWRCHANGZNHLPII-UHFFFAOYSA-N
XLogP5.13
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.64
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 145114206
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 162672852
4-[8-amino-1-[2-fluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1,4-dimethylcyclohexane-1-carboxylic acid
CID 121455755
trans-(1S,3S)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-ethoxy-6-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-1,3-dimethylcyclopentane-1-carboxylic acid
CID 121455695
4-[3-[(6R,8aS)-6-methyl-3-oxo-5,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 121461268
4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide
CID 77106460
1-[(3R)-3-[8-amino-1-[2-fluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]cyclopropane-1-carboxylic acid
CID 121455691
cis-(1S,3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 121455891
4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 71222666
4-[8-amino-3-(7-but-2-ynyl-7-azabicyclo[2.2.1]heptan-1-yl)imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141481943
4-[8-amino-3-[4-(but-2-ynoylamino)cyclohexen-1-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 138500499
4-[3-[(6R,8aS)-1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 77107254

Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid?
The IUPAC name of 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid (CID 121466824) is 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid.
What is the SMILES notation for 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid?
The canonical SMILES for 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid is CC1C2C3C(C(C)C13c1nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c3c(N)nccn13)C2(C)C(=O)O.
What is the InChIKey of 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid?
The InChIKey is WRCHANGZNHLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O3/c1-14-22-24-23(31(22,3)30(41)42)15(2)32(14,24)29-38-25(26-27(34)36-10-11-39(26)29)19-7-6-18(12-20(19)33)28(40)37-21-13-17(8-9-35-21)16-4-5-16/h6-16,22-24H,4-5H2,1-3H3,(H2,34,36)(H,41,42)(H,35,37,40).
What are the key properties of 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid?
5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid has a molecular weight of 566.64 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid is sourced from PubChem (CID 121466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).