YTVCZPUNBLVANT-UHFFFAOYSA-N

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

C₂₃H₁₉F₃N₆O — CID 155253599

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

IUPACN-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

SMILESCNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1

InChIInChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)14-6-7-28-19(9-14)23(24,25)26)10-17(12)18-8-15-11-29-22(27-3)32-20(15)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)

InChIKeyYTVCZPUNBLVANT-UHFFFAOYSA-N

MW452.44 g/mol

LogP5.02

Rot. Bonds4

About YTVCZPUNBLVANT-UHFFFAOYSA-N

YTVCZPUNBLVANT-UHFFFAOYSA-N (PubChem CID 155253599) has the molecular formula C₂₃H₁₉F₃N₆O and a molecular weight of 452.44 g/mol. Its IUPAC name is N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name	YTVCZPUNBLVANT-UHFFFAOYSA-N
PubChem CID	155253599
Molecular Formula	C₂₃H₁₉F₃N₆O
Molecular Weight	452.44 g/mol
Exact Mass	452.16
IUPAC Name	N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILES	CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1
InChI	InChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)14-6-7-28-19(9-14)23(24,25)26)10-17(12)18-8-15-11-29-22(27-3)32-20(15)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)
InChIKey	YTVCZPUNBLVANT-UHFFFAOYSA-N
XLogP	5.02
TPSA	92.69 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.44
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of YTVCZPUNBLVANT-UHFFFAOYSA-N (CID 155253599) is N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

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

The canonical SMILES for YTVCZPUNBLVANT-UHFFFAOYSA-N is CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)c(C)nc2n1.

What is the InChIKey of YTVCZPUNBLVANT-UHFFFAOYSA-N?

The InChIKey is YTVCZPUNBLVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)14-6-7-28-19(9-14)23(24,25)26)10-17(12)18-8-15-11-29-22(27-3)32-20(15)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32).

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

YTVCZPUNBLVANT-UHFFFAOYSA-N has a molecular weight of 452.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for YTVCZPUNBLVANT-UHFFFAOYSA-N is sourced from PubChem (CID 155253599), 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 155253599 — identifiers, structure, computed properties (public domain)

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