N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide

C32H29FN6O2 — CID 168281964

IUPACN-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)F)C6=CC=CC=C6
InChIInChI=1S/C32H29FN6O2/c1-41-28-9-5-6-24(20-28)31-29(22-39(36-31)27-7-3-2-4-8-27)23-14-15-34-30(21-23)37-16-18-38(19-17-37)32(40)35-26-12-10-25(33)11-13-26/h2-15,20-22H,16-19H2,1H3,(H,35,40)
InChIKeyLUYQCPFUZIYKJS-UHFFFAOYSA-N
MW548.60 g/mol
LogP5.30
Rot. Bonds6

About N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide

N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 168281964) has the molecular formula C32H29FN6O2 and a molecular weight of 548.60 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID168281964
Molecular FormulaC32H29FN6O2
Molecular Weight548.60 g/mol
Exact Mass548.23
IUPAC NameN-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)F)C6=CC=CC=C6
InChIInChI=1S/C32H29FN6O2/c1-41-28-9-5-6-24(20-28)31-29(22-39(36-31)27-7-3-2-4-8-27)23-14-15-34-30(21-23)37-16-18-38(19-17-37)32(40)35-26-12-10-25(33)11-13-26/h2-15,20-22H,16-19H2,1H3,(H,35,40)
InChIKeyLUYQCPFUZIYKJS-UHFFFAOYSA-N
XLogP5.30
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity829

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
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CID 71555167
2-[5-(4-methoxyphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
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1-[1-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-diazinan-2-one
CID 11983528
6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781217
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CID 68519792
2-[3-(3-Methoxy-5-methylphenyl)-4-[6-(2-methylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726561
2-[4-[6-(3-Hydroxypropylamino)-2-pyridin-3-ylpyrimidin-4-yl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 118726562
2-[4-[6-(4-Hydroxybutylamino)-2-pyridin-3-ylpyrimidin-4-yl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 118726563
2-[3-(3-Methoxy-5-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726564

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide (CID 168281964) is N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide is COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)F)C6=CC=CC=C6.
What is the InChIKey of N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is LUYQCPFUZIYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O2/c1-41-28-9-5-6-24(20-28)31-29(22-39(36-31)27-7-3-2-4-8-27)23-14-15-34-30(21-23)37-16-18-38(19-17-37)32(40)35-26-12-10-25(33)11-13-26/h2-15,20-22H,16-19H2,1H3,(H,35,40).
What are the key properties of N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 548.60 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 168281964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).