N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22N6O2 — CID 110110592

IUPACN-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCN(C(=O)c4ccc(C)nc4)CC3)ccnc12
InChIInChI=1S/C20H22N6O2/c1-13-3-4-15(11-23-13)20(28)25-9-6-14(7-10-25)17-5-8-22-18-16(19(27)21-2)12-24-26(17)18/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,21,27)
InChIKeyBQGJQNNVXUCIMA-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110110592) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110110592
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCN(C(=O)c4ccc(C)nc4)CC3)ccnc12
InChIInChI=1S/C20H22N6O2/c1-13-3-4-15(11-23-13)20(28)25-9-6-14(7-10-25)17-5-8-22-18-16(19(27)21-2)12-24-26(17)18/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,21,27)
InChIKeyBQGJQNNVXUCIMA-UHFFFAOYSA-N
XLogP1.81
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110110592) is N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(C3CCN(C(=O)c4ccc(C)nc4)CC3)ccnc12.
What is the InChIKey of N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BQGJQNNVXUCIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-3-4-15(11-23-13)20(28)25-9-6-14(7-10-25)17-5-8-22-18-16(19(27)21-2)12-24-26(17)18/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,21,27).
What are the key properties of N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110110592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).