7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

C25H19F3N4O — CID 158275877

About 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (PubChem CID 158275877) has the molecular formula C25H19F3N4O and a molecular weight of 448.45 g/mol. Its IUPAC name is 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
• PubChem CID: 158275877
• Molecular Formula: C25H19F3N4O
• Molecular Weight: 448.45 g/mol
• Exact Mass: 448.15
• IUPAC Name: 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
• SMILES: C[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H19F3N4O/c1-14(15-2-4-19(5-3-15)25(26,27)28)31-24(33)22-11-17-10-18-13-30-23(16-6-8-29-9-7-16)20(18)12-21(17)32-22/h2-10,12,14H,11,13H2,1H3,(H,31,33)/t14-/m1/s1
• InChIKey: MBIDZILLWHUVDZ-CQSZACIVSA-N
• XLogP: 4.96
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.45
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?

The IUPAC name of 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (CID 158275877) is 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.

What is the SMILES notation for 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?

The canonical SMILES for 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is C[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccncc1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?

The InChIKey is MBIDZILLWHUVDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H19F3N4O/c1-14(15-2-4-19(5-3-15)25(26,27)28)31-24(33)22-11-17-10-18-13-30-23(16-6-8-29-9-7-16)20(18)12-21(17)32-22/h2-10,12,14H,11,13H2,1H3,(H,31,33)/t14-/m1/s1.

What are the key properties of 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?

7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is sourced from PubChem (CID 158275877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).