1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one

C25H29N5O3 — CID 92551807

IUPAC1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)cc1OC
InChIInChI=1S/C25H29N5O3/c1-25(2,3)24(31)30-13-10-19-18(15-30)23(29-22(28-19)16-8-11-26-12-9-16)27-17-6-7-20(32-4)21(14-17)33-5/h6-9,11-12,14H,10,13,15H2,1-5H3,(H,27,28,29)
InChIKeyFSFWOTSNTJMTNP-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.23
Rot. Bonds5

About 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one

1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one (PubChem CID 92551807) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
PubChem CID92551807
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)cc1OC
InChIInChI=1S/C25H29N5O3/c1-25(2,3)24(31)30-13-10-19-18(15-30)23(29-22(28-19)16-8-11-26-12-9-16)27-17-6-7-20(32-4)21(14-17)33-5/h6-9,11-12,14H,10,13,15H2,1-5H3,(H,27,28,29)
InChIKeyFSFWOTSNTJMTNP-UHFFFAOYSA-N
XLogP4.23
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 46951457
tert-butyl N-[3-[(6-benzyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]carbamate
CID 135151010
11-(2,2-dimethylpropanoyl)-5-(4-methoxyphenyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53184136
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66864763
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
CID 92573057
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 98134967
(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 4243699
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one (CID 92551807) is 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one is COc1ccc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)cc1OC.
What is the InChIKey of 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FSFWOTSNTJMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-25(2,3)24(31)30-13-10-19-18(15-30)23(29-22(28-19)16-8-11-26-12-9-16)27-17-6-7-20(32-4)21(14-17)33-5/h6-9,11-12,14H,10,13,15H2,1-5H3,(H,27,28,29).
What are the key properties of 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one?
1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one has a molecular weight of 447.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 92551807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).