(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone

C21H23N5O — CID 155952741

IUPAC(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone
SMILESCC(Cc1ccccc1)n1cccc1C(=O)N1CCc2cnc(N)nc2C1
InChIInChI=1S/C21H23N5O/c1-15(12-16-6-3-2-4-7-16)26-10-5-8-19(26)20(27)25-11-9-17-13-23-21(22)24-18(17)14-25/h2-8,10,13,15H,9,11-12,14H2,1H3,(H2,22,23,24)
InChIKeyFPHNPIWXEUDBJH-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.86
Rot. Bonds4

About (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone

(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone (PubChem CID 155952741) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone
PubChem CID155952741
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone
SMILESCC(Cc1ccccc1)n1cccc1C(=O)N1CCc2cnc(N)nc2C1
InChIInChI=1S/C21H23N5O/c1-15(12-16-6-3-2-4-7-16)26-10-5-8-19(26)20(27)25-11-9-17-13-23-21(22)24-18(17)14-25/h2-8,10,13,15H,9,11-12,14H2,1H3,(H2,22,23,24)
InChIKeyFPHNPIWXEUDBJH-UHFFFAOYSA-N
XLogP2.86
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-carbamoylpyrrolidin-3-yl]-1-[(2R)-1-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 97333048
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
CID 126838819
3-[3-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)pyrazol-1-yl]benzonitrile
CID 167747355
(1-cyclopropylpyrrol-2-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 118793271
N-[2-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 155952735
1-(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 136554610
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421498
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153233
2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 140626311
4-methyl-1-(1-phenylpropan-2-yl)pyrrole-2-carboxylic acid
CID 169444011
(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide
CID 95281735
[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 71695914

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone?
The IUPAC name of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone (CID 155952741) is (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone.
What is the SMILES notation for (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone?
The canonical SMILES for (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone is CC(Cc1ccccc1)n1cccc1C(=O)N1CCc2cnc(N)nc2C1.
What is the InChIKey of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone?
The InChIKey is FPHNPIWXEUDBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15(12-16-6-3-2-4-7-16)26-10-5-8-19(26)20(27)25-11-9-17-13-23-21(22)24-18(17)14-25/h2-8,10,13,15H,9,11-12,14H2,1H3,(H2,22,23,24).
What are the key properties of (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone?
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[1-(1-phenylpropan-2-yl)pyrrol-2-yl]methanone is sourced from PubChem (CID 155952741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).