2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H25N5O2 — CID 98241753

IUPAC2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)n2[nH]1
InChIInChI=1S/C21H25N5O2/c1-14-4-3-9-25(13-14)17-7-5-16(6-8-17)11-23-20(27)18-12-22-19-10-15(2)24-26(19)21(18)28/h5-8,10,12,14,24H,3-4,9,11,13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyUZKJQINFCOUGAJ-CQSZACIVSA-N
MW379.46 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 98241753) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID98241753
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)n2[nH]1
InChIInChI=1S/C21H25N5O2/c1-14-4-3-9-25(13-14)17-7-5-16(6-8-17)11-23-20(27)18-12-22-19-10-15(2)24-26(19)21(18)28/h5-8,10,12,14,24H,3-4,9,11,13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyUZKJQINFCOUGAJ-CQSZACIVSA-N
XLogP2.50
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109187875
7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51949017
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
CID 100716391
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 99933479
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338035
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
N-[(3-bromophenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724371
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 98241753) is 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UZKJQINFCOUGAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-4-3-9-25(13-14)17-7-5-16(6-8-17)11-23-20(27)18-12-22-19-10-15(2)24-26(19)21(18)28/h5-8,10,12,14,24H,3-4,9,11,13H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98241753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).