SAWVPLMPCOLCID-UHFFFAOYSA-N

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

C₂₅H₂₂N₆O₂ — CID 56966668

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

IUPAC4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine

SMILESCOc1cc2c(cc1OC)CN(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)nc13)CC2

InChIInChI=1S/C25H22N6O2/c1-32-21-10-15-6-8-31(13-18(15)11-22(21)33-2)25-23-20(28-14-29-25)4-3-19(30-23)17-9-16-5-7-26-24(16)27-12-17/h3-5,7,9-12,14H,6,8,13H2,1-2H3,(H,26,27)

InChIKeySAWVPLMPCOLCID-UHFFFAOYSA-N

MW438.49 g/mol

LogP4.15

Rot. Bonds4

About SAWVPLMPCOLCID-UHFFFAOYSA-N

SAWVPLMPCOLCID-UHFFFAOYSA-N (PubChem CID 56966668) has the molecular formula C₂₅H₂₂N₆O₂ and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name	SAWVPLMPCOLCID-UHFFFAOYSA-N
PubChem CID	56966668
Molecular Formula	C₂₅H₂₂N₆O₂
Molecular Weight	438.49 g/mol
Exact Mass	438.18
IUPAC Name	4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine
SMILES	COc1cc2c(cc1OC)CN(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)nc13)CC2
InChI	InChI=1S/C25H22N6O2/c1-32-21-10-15-6-8-31(13-18(15)11-22(21)33-2)25-23-20(28-14-29-25)4-3-19(30-23)17-9-16-5-7-26-24(16)27-12-17/h3-5,7,9-12,14H,6,8,13H2,1-2H3,(H,26,27)
InChIKey	SAWVPLMPCOLCID-UHFFFAOYSA-N
XLogP	4.15
TPSA	89.05 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of SAWVPLMPCOLCID-UHFFFAOYSA-N (CID 56966668) is 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidine.

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

The canonical SMILES for SAWVPLMPCOLCID-UHFFFAOYSA-N is COc1cc2c(cc1OC)CN(c1ncnc3ccc(-c4cnc5[nH]ccc5c4)nc13)CC2.

What is the InChIKey of SAWVPLMPCOLCID-UHFFFAOYSA-N?

The InChIKey is SAWVPLMPCOLCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-32-21-10-15-6-8-31(13-18(15)11-22(21)33-2)25-23-20(28-14-29-25)4-3-19(30-23)17-9-16-5-7-26-24(16)27-12-17/h3-5,7,9-12,14H,6,8,13H2,1-2H3,(H,26,27).

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

SAWVPLMPCOLCID-UHFFFAOYSA-N has a molecular weight of 438.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SAWVPLMPCOLCID-UHFFFAOYSA-N is sourced from PubChem (CID 56966668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 56966668 — identifiers, structure, computed properties (public domain)

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