YVHBYDLRXONNAQ-PUODRLBUSA-N

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

C₂₃H₂₉F₂N₇O₄ — CID 121409632

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

IUPAC6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1

InChIInChI=1S/C23H29F2N7O4/c1-12(10-33)28-21(35)17-8-18(31-22(30-17)36-11-14-9-23(14,24)25)32-6-4-13(5-7-32)16-3-2-15(26)19(29-16)20(27)34/h2-3,8,12-14,33H,4-7,9-11,26H2,1H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1

InChIKeyYVHBYDLRXONNAQ-PUODRLBUSA-N

MW505.53 g/mol

LogP1.08

Rot. Bonds9

About YVHBYDLRXONNAQ-PUODRLBUSA-N

YVHBYDLRXONNAQ-PUODRLBUSA-N (PubChem CID 121409632) has the molecular formula C₂₃H₂₉F₂N₇O₄ and a molecular weight of 505.53 g/mol. Its IUPAC name is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name	YVHBYDLRXONNAQ-PUODRLBUSA-N
PubChem CID	121409632
Molecular Formula	C₂₃H₂₉F₂N₇O₄
Molecular Weight	505.53 g/mol
Exact Mass	505.22
IUPAC Name	6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILES	C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1
InChI	InChI=1S/C23H29F2N7O4/c1-12(10-33)28-21(35)17-8-18(31-22(30-17)36-11-14-9-23(14,24)25)32-6-4-13(5-7-32)16-3-2-15(26)19(29-16)20(27)34/h2-3,8,12-14,33H,4-7,9-11,26H2,1H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1
InChIKey	YVHBYDLRXONNAQ-PUODRLBUSA-N
XLogP	1.08
TPSA	169.58 Å²
H-Bond Donors	4
H-Bond Acceptors	9
Rotatable Bonds	9
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of YVHBYDLRXONNAQ-PUODRLBUSA-N?

The IUPAC name of YVHBYDLRXONNAQ-PUODRLBUSA-N (CID 121409632) is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for YVHBYDLRXONNAQ-PUODRLBUSA-N?

The canonical SMILES for YVHBYDLRXONNAQ-PUODRLBUSA-N is C[C@H](CO)NC(=O)c1cc(N2CCC(c3ccc(N)c(C(N)=O)n3)CC2)nc(OCC2CC2(F)F)n1.

What is the InChIKey of YVHBYDLRXONNAQ-PUODRLBUSA-N?

The InChIKey is YVHBYDLRXONNAQ-PUODRLBUSA-N. The full InChI is InChI=1S/C23H29F2N7O4/c1-12(10-33)28-21(35)17-8-18(31-22(30-17)36-11-14-9-23(14,24)25)32-6-4-13(5-7-32)16-3-2-15(26)19(29-16)20(27)34/h2-3,8,12-14,33H,4-7,9-11,26H2,1H3,(H2,27,34)(H,28,35)/t12-,14?/m1/s1.

What are the key properties of YVHBYDLRXONNAQ-PUODRLBUSA-N?

YVHBYDLRXONNAQ-PUODRLBUSA-N has a molecular weight of 505.53 g/mol, XLogP of 1.08, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for YVHBYDLRXONNAQ-PUODRLBUSA-N is sourced from PubChem (CID 121409632), 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 121409632 — 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.