(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C21H21N3O2S — CID 131697050

IUPAC(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)c1
InChIInChI=1S/C21H21N3O2S/c1-14(2)26-17-5-3-4-15(10-17)21(25)24-8-6-19-18(11-24)20(23-13-22-19)16-7-9-27-12-16/h3-5,7,9-10,12-14H,6,8,11H2,1-2H3
InChIKeyVXLOESAHXNLIAC-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.19
Rot. Bonds4

About (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 131697050) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID131697050
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)c1
InChIInChI=1S/C21H21N3O2S/c1-14(2)26-17-5-3-4-15(10-17)21(25)24-8-6-19-18(11-24)20(23-13-22-19)16-7-9-27-12-16/h3-5,7,9-10,12-14H,6,8,11H2,1-2H3
InChIKeyVXLOESAHXNLIAC-UHFFFAOYSA-N
XLogP4.19
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-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

thiophen-3-yl-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97462077
pyrazolo[1,5-a]pyridin-3-yl-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696717
1-methyl-3-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carbonyl)pyridin-2-one
CID 131690067
(1-methylcyclohex-3-en-1-yl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696712
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
pyridin-2-yl-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 155857087
2-(1-methoxycyclobutyl)-1-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 131690086
(4-propan-2-yloxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-thiophen-2-ylmethanone
CID 97404893
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
CID 155870665
(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 4243699

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 131697050) is (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is CC(C)Oc1cccc(C(=O)N2CCc3ncnc(-c4ccsc4)c3C2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is VXLOESAHXNLIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(2)26-17-5-3-4-15(10-17)21(25)24-8-6-19-18(11-24)20(23-13-22-19)16-7-9-27-12-16/h3-5,7,9-10,12-14H,6,8,11H2,1-2H3.
What are the key properties of (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 379.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 131697050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).