4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine

C28H28N10 — CID 118388568

IUPAC4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESc1ccc(-n2cnc(Nc3cc(-c4nc(N5CCNCC5)c5c(C6CCC6)cncc5n4)ccn3)n2)cc1
InChIInChI=1S/C28H28N10/c1-2-7-21(8-3-1)38-18-32-28(36-38)34-24-15-20(9-10-31-24)26-33-23-17-30-16-22(19-5-4-6-19)25(23)27(35-26)37-13-11-29-12-14-37/h1-3,7-10,15-19,29H,4-6,11-14H2,(H,31,34,36)
InChIKeyXRWGBRCEVQYIKS-UHFFFAOYSA-N
MW504.60 g/mol
LogP4.09
Rot. Bonds6

About 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine

4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 118388568) has the molecular formula C28H28N10 and a molecular weight of 504.60 g/mol. Its IUPAC name is 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID118388568
Molecular FormulaC28H28N10
Molecular Weight504.60 g/mol
Exact Mass504.25
IUPAC Name4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESc1ccc(-n2cnc(Nc3cc(-c4nc(N5CCNCC5)c5c(C6CCC6)cncc5n4)ccn3)n2)cc1
InChIInChI=1S/C28H28N10/c1-2-7-21(8-3-1)38-18-32-28(36-38)34-24-15-20(9-10-31-24)26-33-23-17-30-16-22(19-5-4-6-19)25(23)27(35-26)37-13-11-29-12-14-37/h1-3,7-10,15-19,29H,4-6,11-14H2,(H,31,34,36)
InChIKeyXRWGBRCEVQYIKS-UHFFFAOYSA-N
XLogP4.09
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-cyclobutyl-N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-[2-[(1-phenyl-1,2,4-triazol-3-yl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 118388479
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-fluorophenyl)pyridin-2-amine
CID 86716695
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-methylpyridin-3-amine
CID 90099357
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-methylphenyl)pyridin-2-amine
CID 90099798
2-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]benzonitrile
CID 90098535
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-fluoropyridin-3-amine
CID 90099296
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-methylpyridin-3-amine
CID 90099833
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
CID 90099005
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyridin-2-amine
CID 90099117
6-[[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 90098703
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridin-3-amine
CID 90098752
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(3-fluorocyclobutyl)pyridin-2-amine
CID 90099989

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 118388568) is 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine is c1ccc(-n2cnc(Nc3cc(-c4nc(N5CCNCC5)c5c(C6CCC6)cncc5n4)ccn3)n2)cc1.
What is the InChIKey of 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is XRWGBRCEVQYIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N10/c1-2-7-21(8-3-1)38-18-32-28(36-38)34-24-15-20(9-10-31-24)26-33-23-17-30-16-22(19-5-4-6-19)25(23)27(35-26)37-13-11-29-12-14-37/h1-3,7-10,15-19,29H,4-6,11-14H2,(H,31,34,36).
What are the key properties of 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine?
4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 504.60 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 118388568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).