5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C19H25N7O3 — CID 128994391

IUPAC5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)CC2
InChIInChI=1S/C19H25N7O3/c1-11(2)23-17(27)14-10-22-26-6-5-12(7-15(14)26)9-21-16-13(8-20)18(28)25(4)19(29)24(16)3/h10-12,21H,5-7,9H2,1-4H3,(H,23,27)
InChIKeyLLDIHEFQFQPTMD-UHFFFAOYSA-N
MW399.46 g/mol
LogP-0.04
Rot. Bonds5

About 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128994391) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID128994391
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)CC2
InChIInChI=1S/C19H25N7O3/c1-11(2)23-17(27)14-10-22-26-6-5-12(7-15(14)26)9-21-16-13(8-20)18(28)25(4)19(29)24(16)3/h10-12,21H,5-7,9H2,1-4H3,(H,23,27)
InChIKeyLLDIHEFQFQPTMD-UHFFFAOYSA-N
XLogP-0.04
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128994391) is 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)NC(=O)c1cnn2c1CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)CC2.
What is the InChIKey of 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LLDIHEFQFQPTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-11(2)23-17(27)14-10-22-26-6-5-12(7-15(14)26)9-21-16-13(8-20)18(28)25(4)19(29)24(16)3/h10-12,21H,5-7,9H2,1-4H3,(H,23,27).
What are the key properties of 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 399.46 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128994391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).