(3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone

C24H27ClFN5O — CID 110122142

IUPAC(3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone
SMILESCC(C)c1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)ccn2)n[nH]1
InChIInChI=1S/C24H27ClFN5O/c1-15(2)20-14-22(30-29-20)28-21-13-17(6-9-27-21)12-16-7-10-31(11-8-16)24(32)18-4-3-5-19(25)23(18)26/h3-6,9,13-16H,7-8,10-12H2,1-2H3,(H2,27,28,29,30)
InChIKeyRGGGVKIHVILCSC-UHFFFAOYSA-N
MW455.97 g/mol
LogP5.56
Rot. Bonds6

About (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone (PubChem CID 110122142) has the molecular formula C24H27ClFN5O and a molecular weight of 455.97 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone
PubChem CID110122142
Molecular FormulaC24H27ClFN5O
Molecular Weight455.97 g/mol
Exact Mass455.19
IUPAC Name(3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone
SMILESCC(C)c1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)ccn2)n[nH]1
InChIInChI=1S/C24H27ClFN5O/c1-15(2)20-14-22(30-29-20)28-21-13-17(6-9-27-21)12-16-7-10-31(11-8-16)24(32)18-4-3-5-19(25)23(18)26/h3-6,9,13-16H,7-8,10-12H2,1-2H3,(H2,27,28,29,30)
InChIKeyRGGGVKIHVILCSC-UHFFFAOYSA-N
XLogP5.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.97
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-chloro-2-fluorophenyl)-[4-[[2-ethoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 110098634
(3-chloro-2-fluorophenyl)-[(3R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124941992
tert-butyl 4-[4-[[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 110096641
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
3-[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 81265149
(2,3-difluorophenyl)-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95821679
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 34894788

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone (CID 110122142) is (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone is CC(C)c1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)ccn2)n[nH]1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone?
The InChIKey is RGGGVKIHVILCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O/c1-15(2)20-14-22(30-29-20)28-21-13-17(6-9-27-21)12-16-7-10-31(11-8-16)24(32)18-4-3-5-19(25)23(18)26/h3-6,9,13-16H,7-8,10-12H2,1-2H3,(H2,27,28,29,30).
What are the key properties of (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone has a molecular weight of 455.97 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[4-[[2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-4-pyridinyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110122142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).