ZGEIPGMPHOCQIY-IBGZPJMESA-N

Name: ZGEIPGMPHOCQIY-IBGZPJMESA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₃F₄N₇O — CID 58110098

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(9S)-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine

SMILESCc1ncn(-c2ccc(Nc3nc4n(n3)CCCC[C@H]4c3ccc(OCC(F)(F)F)cc3)cc2F)n1

InChIInChI=1S/C24H23F4N7O/c1-15-29-14-35(32-15)21-10-7-17(12-20(21)25)30-23-31-22-19(4-2-3-11-34(22)33-23)16-5-8-18(9-6-16)36-13-24(26,27)28/h5-10,12,14,19H,2-4,11,13H2,1H3,(H,30,33)/t19-/m0/s1

InChIKeyZGEIPGMPHOCQIY-IBGZPJMESA-N

MW501.49 g/mol

LogP5.31

Rot. Bonds6

About ZGEIPGMPHOCQIY-IBGZPJMESA-N

ZGEIPGMPHOCQIY-IBGZPJMESA-N (PubChem CID 58110098) has the molecular formula C₂₄H₂₃F₄N₇O and a molecular weight of 501.49 g/mol. Its IUPAC name is (9S)-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine.

Molecular Properties

Compound Name	ZGEIPGMPHOCQIY-IBGZPJMESA-N
PubChem CID	58110098
Molecular Formula	C₂₄H₂₃F₄N₇O
Molecular Weight	501.49 g/mol
Exact Mass	501.19
IUPAC Name	(9S)-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine
SMILES	Cc1ncn(-c2ccc(Nc3nc4n(n3)CCCC[C@H]4c3ccc(OCC(F)(F)F)cc3)cc2F)n1
InChI	InChI=1S/C24H23F4N7O/c1-15-29-14-35(32-15)21-10-7-17(12-20(21)25)30-23-31-22-19(4-2-3-11-34(22)33-23)16-5-8-18(9-6-16)36-13-24(26,27)28/h5-10,12,14,19H,2-4,11,13H2,1H3,(H,30,33)/t19-/m0/s1
InChIKey	ZGEIPGMPHOCQIY-IBGZPJMESA-N
XLogP	5.31
TPSA	82.68 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ZGEIPGMPHOCQIY-IBGZPJMESA-N?

The IUPAC name of ZGEIPGMPHOCQIY-IBGZPJMESA-N (CID 58110098) is (9S)-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine.

What is the SMILES notation for ZGEIPGMPHOCQIY-IBGZPJMESA-N?

The canonical SMILES for ZGEIPGMPHOCQIY-IBGZPJMESA-N is Cc1ncn(-c2ccc(Nc3nc4n(n3)CCCC[C@H]4c3ccc(OCC(F)(F)F)cc3)cc2F)n1.

What is the InChIKey of ZGEIPGMPHOCQIY-IBGZPJMESA-N?

The InChIKey is ZGEIPGMPHOCQIY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23F4N7O/c1-15-29-14-35(32-15)21-10-7-17(12-20(21)25)30-23-31-22-19(4-2-3-11-34(22)33-23)16-5-8-18(9-6-16)36-13-24(26,27)28/h5-10,12,14,19H,2-4,11,13H2,1H3,(H,30,33)/t19-/m0/s1.

What are the key properties of ZGEIPGMPHOCQIY-IBGZPJMESA-N?

ZGEIPGMPHOCQIY-IBGZPJMESA-N has a molecular weight of 501.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ZGEIPGMPHOCQIY-IBGZPJMESA-N is sourced from PubChem (CID 58110098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 58110098 — identifiers, structure, computed properties (public domain)

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