N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22N6O2 — CID 110110565

IUPACN-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)ccnc12
InChIInChI=1S/C23H22N6O2/c1-24-22(30)17-14-26-29-20(8-11-25-21(17)29)16-9-12-28(13-10-16)23(31)19-7-6-15-4-2-3-5-18(15)27-19/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,24,30)
InChIKeyDTGDSBIDVRFQEP-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.66
Rot. Bonds3

About N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110110565) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110110565
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)ccnc12
InChIInChI=1S/C23H22N6O2/c1-24-22(30)17-14-26-29-20(8-11-25-21(17)29)16-9-12-28(13-10-16)23(31)19-7-6-15-4-2-3-5-18(15)27-19/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,24,30)
InChIKeyDTGDSBIDVRFQEP-UHFFFAOYSA-N
XLogP2.66
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110592
N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125015720
7-(1-acetylpiperidin-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101018
N,N-dimethyl-7-[(2S)-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968290
N,N-dimethyl-7-[1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110702
N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124974777
7-[(3R)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124954952
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110597
N-methyl-7-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964829
N-methyl-7-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124952194
7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124942504

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110110565) is N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)ccnc12.
What is the InChIKey of N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DTGDSBIDVRFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-24-22(30)17-14-26-29-20(8-11-25-21(17)29)16-9-12-28(13-10-16)23(31)19-7-6-15-4-2-3-5-18(15)27-19/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,24,30).
What are the key properties of N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.66, 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-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110110565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).