N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H20FN5O — CID 170948246

IUPACN-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc2cc(C3CCNCC3)nn2c1
InChIInChI=1S/C19H20FN5O/c20-16-3-1-13(2-4-16)10-23-19(26)15-11-22-18-9-17(24-25(18)12-15)14-5-7-21-8-6-14/h1-4,9,11-12,14,21H,5-8,10H2,(H,23,26)
InChIKeyYALBKBBPUQSZAB-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.27
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170948246) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID170948246
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc2cc(C3CCNCC3)nn2c1
InChIInChI=1S/C19H20FN5O/c20-16-3-1-13(2-4-16)10-23-19(26)15-11-22-18-9-17(24-25(18)12-15)14-5-7-21-8-6-14/h1-4,9,11-12,14,21H,5-8,10H2,(H,23,26)
InChIKeyYALBKBBPUQSZAB-UHFFFAOYSA-N
XLogP2.27
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170948223
2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854058
N-[(6-cyclopropyl-3-pyridinyl)methyl]-4-fluorobenzamide
CID 134161068
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
CID 110082218
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796645
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233566

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170948246) is N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc2cc(C3CCNCC3)nn2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YALBKBBPUQSZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-16-3-1-13(2-4-16)10-23-19(26)15-11-22-18-9-17(24-25(18)12-15)14-5-7-21-8-6-14/h1-4,9,11-12,14,21H,5-8,10H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).