7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one

C24H25N7O — CID 68859807

IUPAC7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
SMILESCN1CCN(c2ccc(Nc3cc4c(cn3)cnc(=O)n4Cc3ccncc3)cc2)CC1
InChIInChI=1S/C24H25N7O/c1-29-10-12-30(13-11-29)21-4-2-20(3-5-21)28-23-14-22-19(15-26-23)16-27-24(32)31(22)17-18-6-8-25-9-7-18/h2-9,14-16H,10-13,17H2,1H3,(H,26,28)
InChIKeyKBSKETZKORDXGH-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.73
Rot. Bonds5

About 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one

7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one (PubChem CID 68859807) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
PubChem CID68859807
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
SMILESCN1CCN(c2ccc(Nc3cc4c(cn3)cnc(=O)n4Cc3ccncc3)cc2)CC1
InChIInChI=1S/C24H25N7O/c1-29-10-12-30(13-11-29)21-4-2-20(3-5-21)28-23-14-22-19(15-26-23)16-27-24(32)31(22)17-18-6-8-25-9-7-18/h2-9,14-16H,10-13,17H2,1H3,(H,26,28)
InChIKeyKBSKETZKORDXGH-UHFFFAOYSA-N
XLogP2.73
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18375128
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
6-methyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919680
4-[[5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]-2,6-naphthyridin-3-yl]amino]benzenesulfonic acid
CID 172600003
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one (CID 68859807) is 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one is CN1CCN(c2ccc(Nc3cc4c(cn3)cnc(=O)n4Cc3ccncc3)cc2)CC1.
What is the InChIKey of 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is KBSKETZKORDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-29-10-12-30(13-11-29)21-4-2-20(3-5-21)28-23-14-22-19(15-26-23)16-27-24(32)31(22)17-18-6-8-25-9-7-18/h2-9,14-16H,10-13,17H2,1H3,(H,26,28).
What are the key properties of 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one?
7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 427.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 68859807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).