N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N7O — CID 110101042

IUPACN,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCCN(c4ccncn4)C3)ccnc12
InChIInChI=1S/C18H21N7O/c1-23(2)18(26)14-10-22-25-15(5-8-20-17(14)25)13-4-3-9-24(11-13)16-6-7-19-12-21-16/h5-8,10,12-13H,3-4,9,11H2,1-2H3
InChIKeyBERMBVTVHHHBET-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.61
Rot. Bonds3

About N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110101042) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110101042
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCCN(c4ccncn4)C3)ccnc12
InChIInChI=1S/C18H21N7O/c1-23(2)18(26)14-10-22-25-15(5-8-20-17(14)25)13-4-3-9-24(11-13)16-6-7-19-12-21-16/h5-8,10,12-13H,3-4,9,11H2,1-2H3
InChIKeyBERMBVTVHHHBET-UHFFFAOYSA-N
XLogP1.61
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255
N,N-dimethyl-7-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124979301
7-[(3S)-1-cyclopentylpyrrolidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125000527
7-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124959760
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968986
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125023570
N,N-dimethyl-7-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124941229
N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985983
N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124992229
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
N,N-dimethyl-7-[1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110702

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110101042) is N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c(C3CCCN(c4ccncn4)C3)ccnc12.
What is the InChIKey of N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BERMBVTVHHHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-23(2)18(26)14-10-22-25-15(5-8-20-17(14)25)13-4-3-9-24(11-13)16-6-7-19-12-21-16/h5-8,10,12-13H,3-4,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110101042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).