N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide

C22H25FN6O — CID 118450495

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCN(C(=O)N(C)Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN6O/c1-17-13-25-29(15-17)20-7-8-24-14-21(20)27-9-11-28(12-10-27)22(30)26(2)16-18-3-5-19(23)6-4-18/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyFRNNCMOKBYPJRY-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.09
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide (PubChem CID 118450495) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide
PubChem CID118450495
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCN(C(=O)N(C)Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN6O/c1-17-13-25-29(15-17)20-7-8-24-14-21(20)27-9-11-28(12-10-27)22(30)26(2)16-18-3-5-19(23)6-4-18/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyFRNNCMOKBYPJRY-UHFFFAOYSA-N
XLogP3.09
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide (CID 118450495) is N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide is Cc1cnn(-c2ccncc2N2CCN(C(=O)N(C)Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide?
The InChIKey is FRNNCMOKBYPJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-17-13-25-29(15-17)20-7-8-24-14-21(20)27-9-11-28(12-10-27)22(30)26(2)16-18-3-5-19(23)6-4-18/h3-8,13-15H,9-12,16H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-4-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 118450495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).