(7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C19H25F3N4O2 — CID 97339687

IUPAC(7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)16-23-11-14-9-13(5-8-26(14)16)15(27)25-18(6-1-2-7-18)17(28)24-10-12-3-4-12/h11-13H,1-10H2,(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeySAHGJJDNMWWGON-ZDUSSCGKSA-N
MW398.43 g/mol
LogP2.42
Rot. Bonds5

About (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97339687) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97339687
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name(7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)16-23-11-14-9-13(5-8-26(14)16)15(27)25-18(6-1-2-7-18)17(28)24-10-12-3-4-12/h11-13H,1-10H2,(H,24,28)(H,25,27)/t13-/m0/s1
InChIKeySAHGJJDNMWWGON-ZDUSSCGKSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97339687) is (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is SAHGJJDNMWWGON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c20-19(21,22)16-23-11-14-9-13(5-8-26(14)16)15(27)25-18(6-1-2-7-18)17(28)24-10-12-3-4-12/h11-13H,1-10H2,(H,24,28)(H,25,27)/t13-/m0/s1.
What are the key properties of (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97339687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).