1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C18H23N5OS — CID 118773512

IUPAC1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)Cc1csc(C)n1)C2
InChIInChI=1S/C18H23N5OS/c1-12-19-16-10-23(17(24)9-14-11-25-13(2)21-14)8-5-15(16)18(20-12)22-6-3-4-7-22/h11H,3-10H2,1-2H3
InChIKeyZRSKRTSGYPIVPD-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 118773512) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID118773512
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)Cc1csc(C)n1)C2
InChIInChI=1S/C18H23N5OS/c1-12-19-16-10-23(17(24)9-14-11-25-13(2)21-14)8-5-15(16)18(20-12)22-6-3-4-7-22/h11H,3-10H2,1-2H3
InChIKeyZRSKRTSGYPIVPD-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 118773512) is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)Cc1csc(C)n1)C2.
What is the InChIKey of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ZRSKRTSGYPIVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-12-19-16-10-23(17(24)9-14-11-25-13(2)21-14)8-5-15(16)18(20-12)22-6-3-4-7-22/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 357.48 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 118773512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).