FDGBVSBVELNCPQ-HNNXBMFYSA-N

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

C₂₄H₂₂F₄N₄O₃ — CID 118195326

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

IUPAC5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cc1F

InChIInChI=1S/C24H22F4N4O3/c1-14-21(25)9-16(10-29-14)20-8-17(11-30-22(20)32-7-6-15(12-32)13-33)23(34)31-18-2-4-19(5-3-18)35-24(26,27)28/h2-5,8-11,15,33H,6-7,12-13H2,1H3,(H,31,34)/t15-/m0/s1

InChIKeyFDGBVSBVELNCPQ-HNNXBMFYSA-N

MW490.46 g/mol

LogP4.56

Rot. Bonds6

About FDGBVSBVELNCPQ-HNNXBMFYSA-N

FDGBVSBVELNCPQ-HNNXBMFYSA-N (PubChem CID 118195326) has the molecular formula C₂₄H₂₂F₄N₄O₃ and a molecular weight of 490.46 g/mol. Its IUPAC name is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	FDGBVSBVELNCPQ-HNNXBMFYSA-N
PubChem CID	118195326
Molecular Formula	C₂₄H₂₂F₄N₄O₃
Molecular Weight	490.46 g/mol
Exact Mass	490.16
IUPAC Name	5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILES	Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cc1F
InChI	InChI=1S/C24H22F4N4O3/c1-14-21(25)9-16(10-29-14)20-8-17(11-30-22(20)32-7-6-15(12-32)13-33)23(34)31-18-2-4-19(5-3-18)35-24(26,27)28/h2-5,8-11,15,33H,6-7,12-13H2,1H3,(H,31,34)/t15-/m0/s1
InChIKey	FDGBVSBVELNCPQ-HNNXBMFYSA-N
XLogP	4.56
TPSA	87.58 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.46
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of FDGBVSBVELNCPQ-HNNXBMFYSA-N?

The IUPAC name of FDGBVSBVELNCPQ-HNNXBMFYSA-N (CID 118195326) is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for FDGBVSBVELNCPQ-HNNXBMFYSA-N?

The canonical SMILES for FDGBVSBVELNCPQ-HNNXBMFYSA-N is Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cc1F.

What is the InChIKey of FDGBVSBVELNCPQ-HNNXBMFYSA-N?

The InChIKey is FDGBVSBVELNCPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22F4N4O3/c1-14-21(25)9-16(10-29-14)20-8-17(11-30-22(20)32-7-6-15(12-32)13-33)23(34)31-18-2-4-19(5-3-18)35-24(26,27)28/h2-5,8-11,15,33H,6-7,12-13H2,1H3,(H,31,34)/t15-/m0/s1.

What are the key properties of FDGBVSBVELNCPQ-HNNXBMFYSA-N?

FDGBVSBVELNCPQ-HNNXBMFYSA-N has a molecular weight of 490.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for FDGBVSBVELNCPQ-HNNXBMFYSA-N is sourced from PubChem (CID 118195326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118195326 — identifiers, structure, computed properties (public domain)

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