cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid

C29H32F3N7O4 — CID 121455842

IUPACcis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCCOc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1-c1nc([C@H]2CC[C@@](C(=O)O)(C(C)C)C2)n2ccnc(N)c12
InChIInChI=1S/C29H32F3N7O4/c1-5-43-19-12-16(26(40)35-21-13-20(29(30,31)32)38(4)37-21)6-7-18(19)22-23-24(33)34-10-11-39(23)25(36-22)17-8-9-28(14-17,15(2)3)27(41)42/h6-7,10-13,15,17H,5,8-9,14H2,1-4H3,(H2,33,34)(H,41,42)(H,35,37,40)/t17-,28-/m0/s1
InChIKeyCLIWVUPXQSAGSM-HPGBDJQBSA-N
MW599.61 g/mol
LogP5.38
Rot. Bonds8

About cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid

cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 121455842) has the molecular formula C29H32F3N7O4 and a molecular weight of 599.61 g/mol. Its IUPAC name is cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID121455842
Molecular FormulaC29H32F3N7O4
Molecular Weight599.61 g/mol
Exact Mass599.25
IUPAC Namecis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCCOc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1-c1nc([C@H]2CC[C@@](C(=O)O)(C(C)C)C2)n2ccnc(N)c12
InChIInChI=1S/C29H32F3N7O4/c1-5-43-19-12-16(26(40)35-21-13-20(29(30,31)32)38(4)37-21)6-7-18(19)22-23-24(33)34-10-11-39(23)25(36-22)17-8-9-28(14-17,15(2)3)27(41)42/h6-7,10-13,15,17H,5,8-9,14H2,1-4H3,(H2,33,34)(H,41,42)(H,35,37,40)/t17-,28-/m0/s1
InChIKeyCLIWVUPXQSAGSM-HPGBDJQBSA-N
XLogP5.38
TPSA149.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.61
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-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 cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid (CID 121455842) is cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid is CCOc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1-c1nc([C@H]2CC[C@@](C(=O)O)(C(C)C)C2)n2ccnc(N)c12.
What is the InChIKey of cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is CLIWVUPXQSAGSM-HPGBDJQBSA-N. The full InChI is InChI=1S/C29H32F3N7O4/c1-5-43-19-12-16(26(40)35-21-13-20(29(30,31)32)38(4)37-21)6-7-18(19)22-23-24(33)34-10-11-39(23)25(36-22)17-8-9-28(14-17,15(2)3)27(41)42/h6-7,10-13,15,17H,5,8-9,14H2,1-4H3,(H2,33,34)(H,41,42)(H,35,37,40)/t17-,28-/m0/s1.
What are the key properties of cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid?
cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 599.61 g/mol, XLogP of 5.38, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-[8-amino-1-[2-ethoxy-4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 121455842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).