PGSOOJFWFVORNG-UHFFFAOYSA-N

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

C₂₈H₂₆ClF₃N₆O₄ — CID 121455850

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

IUPAC4-[8-amino-5-chloro-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid

SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc(C2CCC(C)(C(=O)O)CC2)n2c(Cl)cnc(N)c12

InChIInChI=1S/C28H26ClF3N6O4/c1-27(26(40)41)8-5-14(6-9-27)24-37-21(22-23(33)35-13-19(29)38(22)24)17-4-3-15(11-18(17)42-2)25(39)36-20-12-16(7-10-34-20)28(30,31)32/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)

InChIKeyPGSOOJFWFVORNG-UHFFFAOYSA-N

MW603.00 g/mol

LogP6.06

Rot. Bonds6

About PGSOOJFWFVORNG-UHFFFAOYSA-N

PGSOOJFWFVORNG-UHFFFAOYSA-N (PubChem CID 121455850) has the molecular formula C₂₈H₂₆ClF₃N₆O₄ and a molecular weight of 603.00 g/mol. Its IUPAC name is 4-[8-amino-5-chloro-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name	PGSOOJFWFVORNG-UHFFFAOYSA-N
PubChem CID	121455850
Molecular Formula	C₂₈H₂₆ClF₃N₆O₄
Molecular Weight	603.00 g/mol
Exact Mass	602.17
IUPAC Name	4-[8-amino-5-chloro-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid
SMILES	COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc(C2CCC(C)(C(=O)O)CC2)n2c(Cl)cnc(N)c12
InChI	InChI=1S/C28H26ClF3N6O4/c1-27(26(40)41)8-5-14(6-9-27)24-37-21(22-23(33)35-13-19(29)38(22)24)17-4-3-15(11-18(17)42-2)25(39)36-20-12-16(7-10-34-20)28(30,31)32/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39)
InChIKey	PGSOOJFWFVORNG-UHFFFAOYSA-N
XLogP	6.06
TPSA	144.73 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.00
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of PGSOOJFWFVORNG-UHFFFAOYSA-N (CID 121455850) is 4-[8-amino-5-chloro-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid.

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

The canonical SMILES for PGSOOJFWFVORNG-UHFFFAOYSA-N is COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc(C2CCC(C)(C(=O)O)CC2)n2c(Cl)cnc(N)c12.

What is the InChIKey of PGSOOJFWFVORNG-UHFFFAOYSA-N?

The InChIKey is PGSOOJFWFVORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N6O4/c1-27(26(40)41)8-5-14(6-9-27)24-37-21(22-23(33)35-13-19(29)38(22)24)17-4-3-15(11-18(17)42-2)25(39)36-20-12-16(7-10-34-20)28(30,31)32/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H2,33,35)(H,40,41)(H,34,36,39).

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

PGSOOJFWFVORNG-UHFFFAOYSA-N has a molecular weight of 603.00 g/mol, XLogP of 6.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for PGSOOJFWFVORNG-UHFFFAOYSA-N is sourced from PubChem (CID 121455850), 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 121455850 — identifiers, structure, computed properties (public domain)

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