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

C28H25F4N7O3 — CID 121455691

IUPAC1-[(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
SMILESNc1nccn2c([C@@H]3CCCN(C4(C(=O)O)CC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12
InChIInChI=1S/C28H25F4N7O3/c29-19-12-15(25(40)36-20-13-17(5-8-34-20)28(30,31)32)3-4-18(19)21-22-23(33)35-9-11-39(22)24(37-21)16-2-1-10-38(14-16)27(6-7-27)26(41)42/h3-5,8-9,11-13,16H,1-2,6-7,10,14H2,(H2,33,35)(H,41,42)(H,34,36,40)/t16-/m1/s1
InChIKeyDVJIZLHRCGVRLL-MRXNPFEDSA-N
MW583.55 g/mol
LogP4.58
Rot. Bonds6

About 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

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 (PubChem CID 121455691) has the molecular formula C28H25F4N7O3 and a molecular weight of 583.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID121455691
Molecular FormulaC28H25F4N7O3
Molecular Weight583.55 g/mol
Exact Mass583.20
IUPAC Name1-[(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
SMILESNc1nccn2c([C@@H]3CCCN(C4(C(=O)O)CC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12
InChIInChI=1S/C28H25F4N7O3/c29-19-12-15(25(40)36-20-13-17(5-8-34-20)28(30,31)32)3-4-18(19)21-22-23(33)35-9-11-39(22)24(37-21)16-2-1-10-38(14-16)27(6-7-27)26(41)42/h3-5,8-9,11-13,16H,1-2,6-7,10,14H2,(H2,33,35)(H,41,42)(H,34,36,40)/t16-/m1/s1
InChIKeyDVJIZLHRCGVRLL-MRXNPFEDSA-N
XLogP4.58
TPSA138.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.55
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nccn2c([C@@H]3CCCN(C4(C(=O)O)CC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12.
What is the InChIKey of 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?
The InChIKey is DVJIZLHRCGVRLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C28H25F4N7O3/c29-19-12-15(25(40)36-20-13-17(5-8-34-20)28(30,31)32)3-4-18(19)21-22-23(33)35-9-11-39(22)24(37-21)16-2-1-10-38(14-16)27(6-7-27)26(41)42/h3-5,8-9,11-13,16H,1-2,6-7,10,14H2,(H2,33,35)(H,41,42)(H,34,36,40)/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 583.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121455691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).