N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H24N6O2 — CID 126822339

IUPACN-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NC(=O)c3ccnc4ccnn34)cc2)CC1
InChIInChI=1S/C21H24N6O2/c22-20(28)16-8-13-26(14-9-16)12-7-15-1-3-17(4-2-15)25-21(29)18-5-10-23-19-6-11-24-27(18)19/h1-6,10-11,16H,7-9,12-14H2,(H2,22,28)(H,25,29)
InChIKeyMKBLQQODSSDNDX-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.72
Rot. Bonds6

About N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 126822339) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID126822339
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NC(=O)c3ccnc4ccnn34)cc2)CC1
InChIInChI=1S/C21H24N6O2/c22-20(28)16-8-13-26(14-9-16)12-7-15-1-3-17(4-2-15)25-21(29)18-5-10-23-19-6-11-24-27(18)19/h1-6,10-11,16H,7-9,12-14H2,(H2,22,28)(H,25,29)
InChIKeyMKBLQQODSSDNDX-UHFFFAOYSA-N
XLogP1.72
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 154747322
1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 71968029
N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858177
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 167929276
1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
CID 82260369
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
1-[2-[4-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]ethyl]piperidine-4-carboxamide
CID 47092000
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
CID 119862108

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 126822339) is N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is NC(=O)C1CCN(CCc2ccc(NC(=O)c3ccnc4ccnn34)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is MKBLQQODSSDNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-20(28)16-8-13-26(14-9-16)12-7-15-1-3-17(4-2-15)25-21(29)18-5-10-23-19-6-11-24-27(18)19/h1-6,10-11,16H,7-9,12-14H2,(H2,22,28)(H,25,29).
What are the key properties of N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 126822339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).