1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C29H29FN6O — CID 46378566

IUPAC1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C29H29FN6O/c1-19-16-28(36-27(33-19)17-26(34-36)20-6-8-23(30)9-7-20)35-14-11-21(12-15-35)29(37)31-13-10-22-18-32-25-5-3-2-4-24(22)25/h2-9,16-18,21,32H,10-15H2,1H3,(H,31,37)
InChIKeyXXXNXZFOYMJRSN-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.90
Rot. Bonds6

About 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46378566) has the molecular formula C29H29FN6O and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID46378566
Molecular FormulaC29H29FN6O
Molecular Weight496.59 g/mol
Exact Mass496.24
IUPAC Name1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C29H29FN6O/c1-19-16-28(36-27(33-19)17-26(34-36)20-6-8-23(30)9-7-20)35-14-11-21(12-15-35)29(37)31-13-10-22-18-32-25-5-3-2-4-24(22)25/h2-9,16-18,21,32H,10-15H2,1H3,(H,31,37)
InChIKeyXXXNXZFOYMJRSN-UHFFFAOYSA-N
XLogP4.90
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 50822008
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 50821927
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481
1-[2-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 50821709
N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378548
N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378544
1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 91952358
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 46378566) is 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)n2nc(-c3ccc(F)cc3)cc2n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XXXNXZFOYMJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O/c1-19-16-28(36-27(33-19)17-26(34-36)20-6-8-23(30)9-7-20)35-14-11-21(12-15-35)29(37)31-13-10-22-18-32-25-5-3-2-4-24(22)25/h2-9,16-18,21,32H,10-15H2,1H3,(H,31,37).
What are the key properties of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46378566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).