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

C27H35FN6O — CID 50821927

IUPAC1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCN3CCCCC3C)CC2)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C27H35FN6O/c1-19-17-26(34-25(30-19)18-24(31-34)21-6-8-23(28)9-7-21)33-14-10-22(11-15-33)27(35)29-12-16-32-13-4-3-5-20(32)2/h6-9,17-18,20,22H,3-5,10-16H2,1-2H3,(H,29,35)
InChIKeyAWZUINHQRXYKSB-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.05
Rot. Bonds6

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

1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 50821927) has the molecular formula C27H35FN6O and a molecular weight of 478.62 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID50821927
Molecular FormulaC27H35FN6O
Molecular Weight478.62 g/mol
Exact Mass478.29
IUPAC Name1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCN3CCCCC3C)CC2)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C27H35FN6O/c1-19-17-26(34-25(30-19)18-24(31-34)21-6-8-23(28)9-7-21)33-14-10-22(11-15-33)27(35)29-12-16-32-13-4-3-5-20(32)2/h6-9,17-18,20,22H,3-5,10-16H2,1-2H3,(H,29,35)
InChIKeyAWZUINHQRXYKSB-UHFFFAOYSA-N
XLogP4.05
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (CID 50821927) is 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-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-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCCN3CCCCC3C)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-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is AWZUINHQRXYKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN6O/c1-19-17-26(34-25(30-19)18-24(31-34)21-6-8-23(28)9-7-21)33-14-10-22(11-15-33)27(35)29-12-16-32-13-4-3-5-20(32)2/h6-9,17-18,20,22H,3-5,10-16H2,1-2H3,(H,29,35).
What are the key properties of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50821927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).