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

C16H15N5OS — CID 72719510

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C16H15N5OS/c1-11-14(23-16(19-11)20-5-2-3-6-20)15(22)21-7-4-13-12(9-21)8-17-10-18-13/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyMIRZFXNWIOLGKY-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.23
Rot. Bonds2

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

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone (PubChem CID 72719510) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
PubChem CID72719510
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C16H15N5OS/c1-11-14(23-16(19-11)20-5-2-3-6-20)15(22)21-7-4-13-12(9-21)8-17-10-18-13/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyMIRZFXNWIOLGKY-UHFFFAOYSA-N
XLogP2.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone (CID 72719510) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is MIRZFXNWIOLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11-14(23-16(19-11)20-5-2-3-6-20)15(22)21-7-4-13-12(9-21)8-17-10-18-13/h2-3,5-6,8,10H,4,7,9H2,1H3.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 325.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 72719510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).