NHRSOOUIICKKRW-UHFFFAOYSA-N

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

C₂₅H₂₅F₃N₄O₂ — CID 122620461

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

IUPAC6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one

SMILESCc1ccc(OC(F)F)c(Cn2c3cc(-c4ccc(C(C)(C)N)nc4)c(F)cc3c(=O)n2C)c1

InChIInChI=1S/C25H25F3N4O2/c1-14-5-7-21(34-24(27)28)16(9-14)13-32-20-11-17(19(26)10-18(20)23(33)31(32)4)15-6-8-22(30-12-15)25(2,3)29/h5-12,24H,13,29H2,1-4H3

InChIKeyNHRSOOUIICKKRW-UHFFFAOYSA-N

MW470.50 g/mol

LogP4.69

Rot. Bonds6

About NHRSOOUIICKKRW-UHFFFAOYSA-N

NHRSOOUIICKKRW-UHFFFAOYSA-N (PubChem CID 122620461) has the molecular formula C₂₅H₂₅F₃N₄O₂ and a molecular weight of 470.50 g/mol. Its IUPAC name is 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one.

Molecular Properties

Compound Name	NHRSOOUIICKKRW-UHFFFAOYSA-N
PubChem CID	122620461
Molecular Formula	C₂₅H₂₅F₃N₄O₂
Molecular Weight	470.50 g/mol
Exact Mass	470.19
IUPAC Name	6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one
SMILES	Cc1ccc(OC(F)F)c(Cn2c3cc(-c4ccc(C(C)(C)N)nc4)c(F)cc3c(=O)n2C)c1
InChI	InChI=1S/C25H25F3N4O2/c1-14-5-7-21(34-24(27)28)16(9-14)13-32-20-11-17(19(26)10-18(20)23(33)31(32)4)15-6-8-22(30-12-15)25(2,3)29/h5-12,24H,13,29H2,1-4H3
InChIKey	NHRSOOUIICKKRW-UHFFFAOYSA-N
XLogP	4.69
TPSA	75.07 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of NHRSOOUIICKKRW-UHFFFAOYSA-N (CID 122620461) is 6-[6-(2-aminopropan-2-yl)-3-pyridinyl]-1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-5-fluoro-2-methylindazol-3-one.

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

The canonical SMILES for NHRSOOUIICKKRW-UHFFFAOYSA-N is Cc1ccc(OC(F)F)c(Cn2c3cc(-c4ccc(C(C)(C)N)nc4)c(F)cc3c(=O)n2C)c1.

What is the InChIKey of NHRSOOUIICKKRW-UHFFFAOYSA-N?

The InChIKey is NHRSOOUIICKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-14-5-7-21(34-24(27)28)16(9-14)13-32-20-11-17(19(26)10-18(20)23(33)31(32)4)15-6-8-22(30-12-15)25(2,3)29/h5-12,24H,13,29H2,1-4H3.

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

NHRSOOUIICKKRW-UHFFFAOYSA-N has a molecular weight of 470.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for NHRSOOUIICKKRW-UHFFFAOYSA-N is sourced from PubChem (CID 122620461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122620461 — identifiers, structure, computed properties (public domain)

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