[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C27H25FN6O — CID 45167516

IUPAC[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1)N1CCCCC1c1cccnc1
InChIInChI=1S/C27H25FN6O/c28-22-8-2-1-7-20(22)23-12-14-30-27(32-23)34-25(18-10-11-18)21(17-31-34)26(35)33-15-4-3-9-24(33)19-6-5-13-29-16-19/h1-2,5-8,12-14,16-18,24H,3-4,9-11,15H2
InChIKeyDRPFRHUYIDYOKD-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.11
Rot. Bonds5

About [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 45167516) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID45167516
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC Name[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1)N1CCCCC1c1cccnc1
InChIInChI=1S/C27H25FN6O/c28-22-8-2-1-7-20(22)23-12-14-30-27(32-23)34-25(18-10-11-18)21(17-31-34)26(35)33-15-4-3-9-24(33)19-6-5-13-29-16-19/h1-2,5-8,12-14,16-18,24H,3-4,9-11,15H2
InChIKeyDRPFRHUYIDYOKD-UHFFFAOYSA-N
XLogP5.11
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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PDE2 inhibitor 6
CID 129120905
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328990
6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330056
N-{1-(4-Cyclopropyl-2-Fluorophenyl)-3-[1-(Propan-2-Yl)piperidin-4-Yl]-1h-Pyrazol-5-Yl}pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 68357894
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
US10774086, Example 12
CID 134551927
5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 45167516) is [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1)N1CCCCC1c1cccnc1.
What is the InChIKey of [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is DRPFRHUYIDYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c28-22-8-2-1-7-20(22)23-12-14-30-27(32-23)34-25(18-10-11-18)21(17-31-34)26(35)33-15-4-3-9-24(33)19-6-5-13-29-16-19/h1-2,5-8,12-14,16-18,24H,3-4,9-11,15H2.
What are the key properties of [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 468.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45167516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).