methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate

C31H38FN5O5 — CID 165035508

IUPACmethyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@]1(Cc2nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)ccc2F)CCN(C(=O)c2ccccc2C)[C@H](C)C1
InChIInChI=1S/C31H38FN5O5/c1-19-10-8-9-11-22(19)27(38)36-15-14-31(17-21(36)3,28(39)41-7)18-24-23(32)12-13-25(33-24)34-26-16-20(2)37(35-26)29(40)42-30(4,5)6/h8-13,16,21H,14-15,17-18H2,1-7H3,(H,33,34,35)/t21-,31-/m1/s1
InChIKeyNHXFWZSKTFCSDT-ROTAYESASA-N
MW579.67 g/mol
LogP5.59
Rot. Bonds6

About methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate

methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 165035508) has the molecular formula C31H38FN5O5 and a molecular weight of 579.67 g/mol. Its IUPAC name is methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID165035508
Molecular FormulaC31H38FN5O5
Molecular Weight579.67 g/mol
Exact Mass579.29
IUPAC Namemethyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@]1(Cc2nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)ccc2F)CCN(C(=O)c2ccccc2C)[C@H](C)C1
InChIInChI=1S/C31H38FN5O5/c1-19-10-8-9-11-22(19)27(38)36-15-14-31(17-21(36)3,28(39)41-7)18-24-23(32)12-13-25(33-24)34-26-16-20(2)37(35-26)29(40)42-30(4,5)6/h8-13,16,21H,14-15,17-18H2,1-7H3,(H,33,34,35)/t21-,31-/m1/s1
InChIKeyNHXFWZSKTFCSDT-ROTAYESASA-N
XLogP5.59
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-(3-chloro-2-fluorobenzoyl)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 155777088
methyl (2R)-4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methyl-1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 175405560
methyl 1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]pyrazin-2-yl]methyl]piperidine-4-carboxylate
CID 175405656
1-[bromo(dideuterio)methyl]-3-chloro-2-fluorobenzene;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 158626707
ditert-butyl (2R,4R)-4-[(6-chloro-3-fluoro-4-methyl-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate
CID 164812675
1-(3-chloro-2-fluorobenzoyl)-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 155777082
ditert-butyl (2R,4R)-4-[(4,6-dichloro-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-1,4-dicarboxylate
CID 164812696
tert-butyl 4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3,5-difluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 175405631
tert-butyl (2R,4R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3-fluoro-4-prop-1-en-2-yl-2-pyridinyl]methyl]-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate
CID 163303912
tert-butyl (2R,4R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-3-fluoro-4-methylsulfonyl-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 163303771
(2-amino-2-methylpropyl) (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 123132329
tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 175405644

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate (CID 165035508) is methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate is COC(=O)[C@]1(Cc2nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)ccc2F)CCN(C(=O)c2ccccc2C)[C@H](C)C1.
What is the InChIKey of methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is NHXFWZSKTFCSDT-ROTAYESASA-N. The full InChI is InChI=1S/C31H38FN5O5/c1-19-10-8-9-11-22(19)27(38)36-15-14-31(17-21(36)3,28(39)41-7)18-24-23(32)12-13-25(33-24)34-26-16-20(2)37(35-26)29(40)42-30(4,5)6/h8-13,16,21H,14-15,17-18H2,1-7H3,(H,33,34,35)/t21-,31-/m1/s1.
What are the key properties of methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate?
methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 579.67 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-[[3-fluoro-6-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-2-pyridinyl]methyl]-2-methyl-1-(2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 165035508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).