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

C24H23N7O — CID 147576638

IUPAC2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine
SMILESCCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2ccnc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C24H23N7O/c1-4-32-21-9-16(19-12-27-30(2)14-19)5-6-17(21)10-22-26-11-18-7-8-25-23(24(18)29-22)20-13-28-31(3)15-20/h5-9,11-15H,4,10H2,1-3H3
InChIKeyFVPLFJFYGHLNKU-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.82
Rot. Bonds6

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

2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine (PubChem CID 147576638) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine
PubChem CID147576638
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine
SMILESCCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2ccnc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C24H23N7O/c1-4-32-21-9-16(19-12-27-30(2)14-19)5-6-17(21)10-22-26-11-18-7-8-25-23(24(18)29-22)20-13-28-31(3)15-20/h5-9,11-15H,4,10H2,1-3H3
InChIKeyFVPLFJFYGHLNKU-UHFFFAOYSA-N
XLogP3.82
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(3-methylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 147495459
8-(3,3-difluoropyrrolidin-1-yl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidine
CID 148509114
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
CID 147736244
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-3-methylpyrrolidin-3-ol
CID 147484392
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
6-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-1-oxa-6-azaspiro[3.3]heptane
CID 159293902
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]-propylamino]ethanesulfinate
CID 122450916
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
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine (CID 147576638) is 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine is CCOc1cc(-c2cnn(C)c2)ccc1Cc1ncc2ccnc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is FVPLFJFYGHLNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-4-32-21-9-16(19-12-27-30(2)14-19)5-6-17(21)10-22-26-11-18-7-8-25-23(24(18)29-22)20-13-28-31(3)15-20/h5-9,11-15H,4,10H2,1-3H3.
What are the key properties of 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine?
2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 425.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 147576638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).