[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C24H29FN6O — CID 92618212

IUPAC[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C24H29FN6O/c1-15(2)20-13-21(29-28-20)23(32)31-11-9-17(10-12-31)22-19(14-26-24(27-22)30(3)4)16-5-7-18(25)8-6-16/h5-8,13-15,17H,9-12H2,1-4H3,(H,28,29)
InChIKeyPFVQRDVSHJMYGG-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.22
Rot. Bonds5

About [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 92618212) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID92618212
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C24H29FN6O/c1-15(2)20-13-21(29-28-20)23(32)31-11-9-17(10-12-31)22-19(14-26-24(27-22)30(3)4)16-5-7-18(25)8-6-16/h5-8,13-15,17H,9-12H2,1-4H3,(H,28,29)
InChIKeyPFVQRDVSHJMYGG-UHFFFAOYSA-N
XLogP4.22
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 92618212) is [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is PFVQRDVSHJMYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-15(2)20-13-21(29-28-20)23(32)31-11-9-17(10-12-31)22-19(14-26-24(27-22)30(3)4)16-5-7-18(25)8-6-16/h5-8,13-15,17H,9-12H2,1-4H3,(H,28,29).
What are the key properties of [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 436.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 92618212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).