1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine

C15H19N7 — CID 167313896

IUPAC1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine
SMILESCc1[nH]ncc1-c1nc(C(N)CC(C)N)c2ccncc2n1
InChIInChI=1S/C15H19N7/c1-8(16)5-12(17)14-10-3-4-18-7-13(10)20-15(21-14)11-6-19-22-9(11)2/h3-4,6-8,12H,5,16-17H2,1-2H3,(H,19,22)
InChIKeyZFGAYLHCMLCCFJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.46
Rot. Bonds4

About 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine

1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine (PubChem CID 167313896) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine.

Molecular Properties

Compound Name1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine
PubChem CID167313896
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine
SMILESCc1[nH]ncc1-c1nc(C(N)CC(C)N)c2ccncc2n1
InChIInChI=1S/C15H19N7/c1-8(16)5-12(17)14-10-3-4-18-7-13(10)20-15(21-14)11-6-19-22-9(11)2/h3-4,6-8,12H,5,16-17H2,1-2H3,(H,19,22)
InChIKeyZFGAYLHCMLCCFJ-UHFFFAOYSA-N
XLogP1.46
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine
CID 158758740
trans-(1S,2S)-2-[8-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-ol
CID 167233367
trans-(1R,2R)-2-[8-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-ol
CID 167233318
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
2-(5-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889940
5-methyl-4-(1H-pyrazol-5-yl)-1H-pyrazole
CID 130918479
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 172812602
N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353
1-(8-methylisoquinolin-5-yl)propan-2-amine
CID 82577426
1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
CID 173270330
5-(5-methyl-1H-pyrazol-4-yl)pyridazin-4-amine
CID 82411160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine?
The IUPAC name of 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine (CID 167313896) is 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine.
What is the SMILES notation for 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine?
The canonical SMILES for 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine is Cc1[nH]ncc1-c1nc(C(N)CC(C)N)c2ccncc2n1.
What is the InChIKey of 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine?
The InChIKey is ZFGAYLHCMLCCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-8(16)5-12(17)14-10-3-4-18-7-13(10)20-15(21-14)11-6-19-22-9(11)2/h3-4,6-8,12H,5,16-17H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine?
1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine has a molecular weight of 297.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine is sourced from PubChem (CID 167313896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).