(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C22H29N5O3 — CID 141419972

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(N4CCN(C)CC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C22H29N5O3/c1-14(2)16-10-17(20(29)11-19(16)28)21(30)27-5-4-18-15(13-27)12-23-22(24-18)26-8-6-25(3)7-9-26/h10-12,14,28-29H,4-9,13H2,1-3H3
InChIKeyUGAJAWKAWAHBKQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.96
Rot. Bonds3

About (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 141419972) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID141419972
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCc3nc(N4CCN(C)CC4)ncc3C2)c(O)cc1O
InChIInChI=1S/C22H29N5O3/c1-14(2)16-10-17(20(29)11-19(16)28)21(30)27-5-4-18-15(13-27)12-23-22(24-18)26-8-6-25(3)7-9-26/h10-12,14,28-29H,4-9,13H2,1-3H3
InChIKeyUGAJAWKAWAHBKQ-UHFFFAOYSA-N
XLogP1.96
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 141419972) is (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC(C)c1cc(C(=O)N2CCc3nc(N4CCN(C)CC4)ncc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is UGAJAWKAWAHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14(2)16-10-17(20(29)11-19(16)28)21(30)27-5-4-18-15(13-27)12-23-22(24-18)26-8-6-25(3)7-9-26/h10-12,14,28-29H,4-9,13H2,1-3H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 411.51 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 141419972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).