1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea

C22H25FN6O2 — CID 26394200

IUPAC1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESCc1cc(C)c(C(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)[nH]1
InChIInChI=1S/C22H25FN6O2/c1-14-12-15(2)25-20(14)21(30)28-10-7-18(8-11-28)29-19(6-9-24-29)27-22(31)26-17-5-3-4-16(23)13-17/h3-6,9,12-13,18,25H,7-8,10-11H2,1-2H3,(H2,26,27,31)
InChIKeyNMYPYFFKMMQOGF-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.09
Rot. Bonds4

About 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea

1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (PubChem CID 26394200) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
PubChem CID26394200
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESCc1cc(C)c(C(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)[nH]1
InChIInChI=1S/C22H25FN6O2/c1-14-12-15(2)25-20(14)21(30)28-10-7-18(8-11-28)29-19(6-9-24-29)27-22(31)26-17-5-3-4-16(23)13-17/h3-6,9,12-13,18,25H,7-8,10-11H2,1-2H3,(H2,26,27,31)
InChIKeyNMYPYFFKMMQOGF-UHFFFAOYSA-N
XLogP4.09
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea with MolForge

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Related Compounds

1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 56753158
1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56752652
1-(3-fluorophenyl)-3-[2-[1-[2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 45214616
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357
1-[4-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 84588370
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea
CID 25370807
1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25371671
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (CID 26394200) is 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is Cc1cc(C)c(C(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)[nH]1.
What is the InChIKey of 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The InChIKey is NMYPYFFKMMQOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-14-12-15(2)25-20(14)21(30)28-10-7-18(8-11-28)29-19(6-9-24-29)27-22(31)26-17-5-3-4-16(23)13-17/h3-6,9,12-13,18,25H,7-8,10-11H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea has a molecular weight of 424.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 26394200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).