2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

C16H21N5O2 — CID 91629671

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
SMILESCc1ncn(CC(=O)NCc2cnn3c2CCCC3)c(=O)c1C
InChIInChI=1S/C16H21N5O2/c1-11-12(2)18-10-20(16(11)23)9-15(22)17-7-13-8-19-21-6-4-3-5-14(13)21/h8,10H,3-7,9H2,1-2H3,(H,17,22)
InChIKeyYORRKAWGORLQQS-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.71
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide (PubChem CID 91629671) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
PubChem CID91629671
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
SMILESCc1ncn(CC(=O)NCc2cnn3c2CCCC3)c(=O)c1C
InChIInChI=1S/C16H21N5O2/c1-11-12(2)18-10-20(16(11)23)9-15(22)17-7-13-8-19-21-6-4-3-5-14(13)21/h8,10H,3-7,9H2,1-2H3,(H,17,22)
InChIKeyYORRKAWGORLQQS-UHFFFAOYSA-N
XLogP0.71
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide (CID 91629671) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide is Cc1ncn(CC(=O)NCc2cnn3c2CCCC3)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is YORRKAWGORLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-12(2)18-10-20(16(11)23)9-15(22)17-7-13-8-19-21-6-4-3-5-14(13)21/h8,10H,3-7,9H2,1-2H3,(H,17,22).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 91629671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).