2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine

C24H26N6O — CID 147495459

IUPAC2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2ccnc(N3CCC(C)C3)c2n1
InChIInChI=1S/C24H26N6O/c1-16-7-9-30(14-16)24-23-19(6-8-25-24)12-26-22(28-23)11-18-5-4-17(10-21(18)31-3)20-13-27-29(2)15-20/h4-6,8,10,12-13,15-16H,7,9,11,14H2,1-3H3
InChIKeyFGIXHGBDQFWJCZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.87
Rot. Bonds5

About 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine

2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine (PubChem CID 147495459) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
PubChem CID147495459
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2ccnc(N3CCC(C)C3)c2n1
InChIInChI=1S/C24H26N6O/c1-16-7-9-30(14-16)24-23-19(6-8-25-24)12-26-22(28-23)11-18-5-4-17(10-21(18)31-3)20-13-27-29(2)15-20/h4-6,8,10,12-13,15-16H,7,9,11,14H2,1-3H3
InChIKeyFGIXHGBDQFWJCZ-UHFFFAOYSA-N
XLogP3.87
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3,3-difluoropyrrolidin-1-yl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidine
CID 148509114
2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine
CID 147576638
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
CID 147736244
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
8-N-(3-methoxy-2,2-dimethylpropyl)-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386983
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
1-(4-methylpiperidin-1-yl)-3-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]propan-2-one
CID 152879645
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]-propylamino]ethanesulfinate
CID 122450916
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propanoic acid
CID 90004661
3-methoxy-4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 161156849
[4-[3-methoxy-4-[[8-[(2-methoxy-2-methylpropyl)amino]-6-methylpyrido[3,4-d]pyrimidin-2-yl]methyl]phenyl]-1-methylpyrazol-5-yl]methanol
CID 152953893

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine (CID 147495459) is 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine is COc1cc(-c2cnn(C)c2)ccc1Cc1ncc2ccnc(N3CCC(C)C3)c2n1.
What is the InChIKey of 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is FGIXHGBDQFWJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-7-9-30(14-16)24-23-19(6-8-25-24)12-26-22(28-23)11-18-5-4-17(10-21(18)31-3)20-13-27-29(2)15-20/h4-6,8,10,12-13,15-16H,7,9,11,14H2,1-3H3.
What are the key properties of 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine?
2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 414.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 147495459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).