SBMJWZBTQGIFCF-IURRXHLWSA-N

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

C₂₅H₃₂F₂N₆O₄ — CID 121409531

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

IUPAC6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide

SMILESC[C@@H](NC(=O)c1cc(N2CCC(c3cccc(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O

InChIInChI=1S/C25H32F2N6O4/c1-14(24(2,3)36)29-22(35)19-11-20(32-23(31-19)37-13-16-12-25(16,26)27)33-9-7-15(8-10-33)17-5-4-6-18(30-17)21(28)34/h4-6,11,14-16,36H,7-10,12-13H2,1-3H3,(H2,28,34)(H,29,35)/t14-,16?/m1/s1

InChIKeySBMJWZBTQGIFCF-IURRXHLWSA-N

MW518.57 g/mol

LogP2.28

Rot. Bonds9

About SBMJWZBTQGIFCF-IURRXHLWSA-N

SBMJWZBTQGIFCF-IURRXHLWSA-N (PubChem CID 121409531) has the molecular formula C₂₅H₃₂F₂N₆O₄ and a molecular weight of 518.57 g/mol. Its IUPAC name is 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name	SBMJWZBTQGIFCF-IURRXHLWSA-N
PubChem CID	121409531
Molecular Formula	C₂₅H₃₂F₂N₆O₄
Molecular Weight	518.57 g/mol
Exact Mass	518.25
IUPAC Name	6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
SMILES	C[C@@H](NC(=O)c1cc(N2CCC(c3cccc(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O
InChI	InChI=1S/C25H32F2N6O4/c1-14(24(2,3)36)29-22(35)19-11-20(32-23(31-19)37-13-16-12-25(16,26)27)33-9-7-15(8-10-33)17-5-4-6-18(30-17)21(28)34/h4-6,11,14-16,36H,7-10,12-13H2,1-3H3,(H2,28,34)(H,29,35)/t14-,16?/m1/s1
InChIKey	SBMJWZBTQGIFCF-IURRXHLWSA-N
XLogP	2.28
TPSA	143.56 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of SBMJWZBTQGIFCF-IURRXHLWSA-N?

The IUPAC name of SBMJWZBTQGIFCF-IURRXHLWSA-N (CID 121409531) is 6-[4-(6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for SBMJWZBTQGIFCF-IURRXHLWSA-N?

The canonical SMILES for SBMJWZBTQGIFCF-IURRXHLWSA-N is C[C@@H](NC(=O)c1cc(N2CCC(c3cccc(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1)C(C)(C)O.

What is the InChIKey of SBMJWZBTQGIFCF-IURRXHLWSA-N?

The InChIKey is SBMJWZBTQGIFCF-IURRXHLWSA-N. The full InChI is InChI=1S/C25H32F2N6O4/c1-14(24(2,3)36)29-22(35)19-11-20(32-23(31-19)37-13-16-12-25(16,26)27)33-9-7-15(8-10-33)17-5-4-6-18(30-17)21(28)34/h4-6,11,14-16,36H,7-10,12-13H2,1-3H3,(H2,28,34)(H,29,35)/t14-,16?/m1/s1.

What are the key properties of SBMJWZBTQGIFCF-IURRXHLWSA-N?

SBMJWZBTQGIFCF-IURRXHLWSA-N has a molecular weight of 518.57 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for SBMJWZBTQGIFCF-IURRXHLWSA-N is sourced from PubChem (CID 121409531), 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 121409531 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.