MVYDXBPIGKRPHO-UHFFFAOYSA-N

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

C₂₉H₂₅FN₆O — CID 67285098

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

IUPAC1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-(1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(-c3cn[nH]c3)cc21

InChIInChI=1S/C29H25FN6O/c1-18-26(23-4-2-3-9-31-23)35-24-13-21(30)5-6-22(24)27(18)36-17-29(7-10-37-11-8-29)28-25(36)12-19(14-32-28)20-15-33-34-16-20/h2-6,9,12-16H,7-8,10-11,17H2,1H3,(H,33,34)

InChIKeyMVYDXBPIGKRPHO-UHFFFAOYSA-N

MW492.56 g/mol

LogP5.73

Rot. Bonds3

About MVYDXBPIGKRPHO-UHFFFAOYSA-N

MVYDXBPIGKRPHO-UHFFFAOYSA-N (PubChem CID 67285098) has the molecular formula C₂₉H₂₅FN₆O and a molecular weight of 492.56 g/mol. Its IUPAC name is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-(1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

Molecular Properties

Compound Name	MVYDXBPIGKRPHO-UHFFFAOYSA-N
PubChem CID	67285098
Molecular Formula	C₂₉H₂₅FN₆O
Molecular Weight	492.56 g/mol
Exact Mass	492.21
IUPAC Name	1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-(1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILES	Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(-c3cn[nH]c3)cc21
InChI	InChI=1S/C29H25FN6O/c1-18-26(23-4-2-3-9-31-23)35-24-13-21(30)5-6-22(24)27(18)36-17-29(7-10-37-11-8-29)28-25(36)12-19(14-32-28)20-15-33-34-16-20/h2-6,9,12-16H,7-8,10-11,17H2,1H3,(H,33,34)
InChIKey	MVYDXBPIGKRPHO-UHFFFAOYSA-N
XLogP	5.73
TPSA	79.82 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of MVYDXBPIGKRPHO-UHFFFAOYSA-N (CID 67285098) is 1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-(1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

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

The canonical SMILES for MVYDXBPIGKRPHO-UHFFFAOYSA-N is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(-c3cn[nH]c3)cc21.

What is the InChIKey of MVYDXBPIGKRPHO-UHFFFAOYSA-N?

The InChIKey is MVYDXBPIGKRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O/c1-18-26(23-4-2-3-9-31-23)35-24-13-21(30)5-6-22(24)27(18)36-17-29(7-10-37-11-8-29)28-25(36)12-19(14-32-28)20-15-33-34-16-20/h2-6,9,12-16H,7-8,10-11,17H2,1H3,(H,33,34).

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

MVYDXBPIGKRPHO-UHFFFAOYSA-N has a molecular weight of 492.56 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for MVYDXBPIGKRPHO-UHFFFAOYSA-N is sourced from PubChem (CID 67285098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 67285098 — identifiers, structure, computed properties (public domain)

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