ZEYPTMNFRXZPNW-UHFFFAOYSA-N

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

C₂₄H₁₈ClF₃N₆S — CID 137430839

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

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine

SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCCn1ccc(C(F)(F)F)c1

InChIInChI=1S/C24H18ClF3N6S/c25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28/h1-7,10-13H,8-9H2,(H2,29,31)(H,30,33)

InChIKeyZEYPTMNFRXZPNW-UHFFFAOYSA-N

MW514.96 g/mol

LogP6.54

Rot. Bonds6

About ZEYPTMNFRXZPNW-UHFFFAOYSA-N

ZEYPTMNFRXZPNW-UHFFFAOYSA-N (PubChem CID 137430839) has the molecular formula C₂₄H₁₈ClF₃N₆S and a molecular weight of 514.96 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name	ZEYPTMNFRXZPNW-UHFFFAOYSA-N
PubChem CID	137430839
Molecular Formula	C₂₄H₁₈ClF₃N₆S
Molecular Weight	514.96 g/mol
Exact Mass	514.10
IUPAC Name	5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
SMILES	Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCCn1ccc(C(F)(F)F)c1
InChI	InChI=1S/C24H18ClF3N6S/c25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28/h1-7,10-13H,8-9H2,(H2,29,31)(H,30,33)
InChIKey	ZEYPTMNFRXZPNW-UHFFFAOYSA-N
XLogP	6.54
TPSA	85.41 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.96
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ZEYPTMNFRXZPNW-UHFFFAOYSA-N?

The IUPAC name of ZEYPTMNFRXZPNW-UHFFFAOYSA-N (CID 137430839) is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine.

What is the SMILES notation for ZEYPTMNFRXZPNW-UHFFFAOYSA-N?

The canonical SMILES for ZEYPTMNFRXZPNW-UHFFFAOYSA-N is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCCn1ccc(C(F)(F)F)c1.

What is the InChIKey of ZEYPTMNFRXZPNW-UHFFFAOYSA-N?

The InChIKey is ZEYPTMNFRXZPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N6S/c25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28/h1-7,10-13H,8-9H2,(H2,29,31)(H,30,33).

What are the key properties of ZEYPTMNFRXZPNW-UHFFFAOYSA-N?

ZEYPTMNFRXZPNW-UHFFFAOYSA-N has a molecular weight of 514.96 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ZEYPTMNFRXZPNW-UHFFFAOYSA-N is sourced from PubChem (CID 137430839), 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 137430839 — identifiers, structure, computed properties (public domain)

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