N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22N6O2 — CID 124968290

IUPACN,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@@H]3CCCN3C(=O)c3ccc4ccccc4n3)ccnc12
InChIInChI=1S/C23H22N6O2/c1-27(2)22(30)16-14-25-29-20(11-12-24-21(16)29)19-8-5-13-28(19)23(31)18-10-9-15-6-3-4-7-17(15)26-18/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3/t19-/m0/s1
InChIKeyIZWQKOYDGDCFCR-IBGZPJMESA-N
MW414.47 g/mol
LogP2.96
Rot. Bonds3

About N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124968290) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124968290
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@@H]3CCCN3C(=O)c3ccc4ccccc4n3)ccnc12
InChIInChI=1S/C23H22N6O2/c1-27(2)22(30)16-14-25-29-20(11-12-24-21(16)29)19-8-5-13-28(19)23(31)18-10-9-15-6-3-4-7-17(15)26-18/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3/t19-/m0/s1
InChIKeyIZWQKOYDGDCFCR-IBGZPJMESA-N
XLogP2.96
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

7-[(2R)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964936
7-[(2S)-1-(3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964935
N,N-dimethyl-7-[1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110702
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075
7-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110094764
N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110565
7-[1-(2-hydroxyethyl)piperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110100967
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
7-[(2R)-1-benzylpiperidin-2-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124948056
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125023570
7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124968290) is N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c([C@@H]3CCCN3C(=O)c3ccc4ccccc4n3)ccnc12.
What is the InChIKey of N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IZWQKOYDGDCFCR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22N6O2/c1-27(2)22(30)16-14-25-29-20(11-12-24-21(16)29)19-8-5-13-28(19)23(31)18-10-9-15-6-3-4-7-17(15)26-18/h3-4,6-7,9-12,14,19H,5,8,13H2,1-2H3/t19-/m0/s1.
What are the key properties of N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124968290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).