[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone

C19H22F2N6O — CID 134517350

IUPAC[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCC1([C@@H]2CC=NN2C(=O)C2CCN(c3ncc(F)cn3)CC2)C=NC=C(F)C1
InChIInChI=1S/C19H22F2N6O/c1-19(8-14(20)9-22-12-19)16-2-5-25-27(16)17(28)13-3-6-26(7-4-13)18-23-10-15(21)11-24-18/h5,9-13,16H,2-4,6-8H2,1H3/t16-,19?/m0/s1
InChIKeyDDKVJZGLCPXHTJ-UCFFOFKASA-N
MW388.42 g/mol
LogP2.71
Rot. Bonds3

About [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone

[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 134517350) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID134517350
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCC1([C@@H]2CC=NN2C(=O)C2CCN(c3ncc(F)cn3)CC2)C=NC=C(F)C1
InChIInChI=1S/C19H22F2N6O/c1-19(8-14(20)9-22-12-19)16-2-5-25-27(16)17(28)13-3-6-26(7-4-13)18-23-10-15(21)11-24-18/h5,9-13,16H,2-4,6-8H2,1H3/t16-,19?/m0/s1
InChIKeyDDKVJZGLCPXHTJ-UCFFOFKASA-N
XLogP2.71
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone (CID 134517350) is [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone is CC1([C@@H]2CC=NN2C(=O)C2CCN(c3ncc(F)cn3)CC2)C=NC=C(F)C1.
What is the InChIKey of [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is DDKVJZGLCPXHTJ-UCFFOFKASA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-19(8-14(20)9-22-12-19)16-2-5-25-27(16)17(28)13-3-6-26(7-4-13)18-23-10-15(21)11-24-18/h5,9-13,16H,2-4,6-8H2,1H3/t16-,19?/m0/s1.
What are the key properties of [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone?
[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 388.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 134517350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).