tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate

C27H42FN5O2 — CID 166678047

IUPACtert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate
SMILESCCc1cc(CC2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nc(Nc2cc(C)n(C(C)(C)C)n2)c1F
InChIInChI=1S/C27H42FN5O2/c1-10-20-16-21(15-19-11-12-32(17(2)13-19)25(34)35-27(7,8)9)29-24(23(20)28)30-22-14-18(3)33(31-22)26(4,5)6/h14,16-17,19H,10-13,15H2,1-9H3,(H,29,30,31)/t17-,19?/m1/s1
InChIKeyNSJAHUHBKCAZJK-DUSLRRAJSA-N
MW487.66 g/mol
LogP6.36
Rot. Bonds5

About tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate

tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate (PubChem CID 166678047) has the molecular formula C27H42FN5O2 and a molecular weight of 487.66 g/mol. Its IUPAC name is tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate
PubChem CID166678047
Molecular FormulaC27H42FN5O2
Molecular Weight487.66 g/mol
Exact Mass487.33
IUPAC Nametert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate
SMILESCCc1cc(CC2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nc(Nc2cc(C)n(C(C)(C)C)n2)c1F
InChIInChI=1S/C27H42FN5O2/c1-10-20-16-21(15-19-11-12-32(17(2)13-19)25(34)35-27(7,8)9)29-24(23(20)28)30-22-14-18(3)33(31-22)26(4,5)6/h14,16-17,19H,10-13,15H2,1-9H3,(H,29,30,31)/t17-,19?/m1/s1
InChIKeyNSJAHUHBKCAZJK-DUSLRRAJSA-N
XLogP6.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.66
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-4-[(6-chloro-4-ethenyl-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-1-carboxylate
CID 166677856
tert-butyl (2S)-4-[4-[(1,5-dimethylpyrazol-3-yl)amino]-2-[(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-5-yl]-2-methylpiperazine-1-carboxylate
CID 118494633
tert-butyl 4-(2-ethoxy-2-oxoethyl)-2-methylpiperidine-1-carboxylate
CID 119029033
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
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-methylsulfonyl-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate
CID 163303771
tert-butyl 4-[2-chloro-4-[(1,5-dimethylpyrazol-3-yl)amino]pyrimidin-5-yl]-2-methylpiperazine-1-carboxylate
CID 118485100
tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
CID 119029022
tert-butyl 4-[(6-chloro-3-fluoro-4-methyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 166678132
tert-butyl (2S,4S)-4-[[3-[(2-chloro-4-fluorobenzoyl)amino]phenyl]methyl]-2-methylpiperidine-1-carboxylate
CID 58138727
tert-butyl (2S,4S)-4-[[6-[(2-chloro-6-fluorobenzoyl)amino]-2-pyridinyl]oxymethyl]-2-methylpiperidine-1-carboxylate
CID 142957000
tert-butyl (2R,4R)-4-(4-aminophenyl)-2-methylpiperidine-1-carboxylate
CID 97305072

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate (CID 166678047) is tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate is CCc1cc(CC2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nc(Nc2cc(C)n(C(C)(C)C)n2)c1F.
What is the InChIKey of tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate?
The InChIKey is NSJAHUHBKCAZJK-DUSLRRAJSA-N. The full InChI is InChI=1S/C27H42FN5O2/c1-10-20-16-21(15-19-11-12-32(17(2)13-19)25(34)35-27(7,8)9)29-24(23(20)28)30-22-14-18(3)33(31-22)26(4,5)6/h14,16-17,19H,10-13,15H2,1-9H3,(H,29,30,31)/t17-,19?/m1/s1.
What are the key properties of tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate?
tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate has a molecular weight of 487.66 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-[[6-[(1-tert-butyl-5-methylpyrazol-3-yl)amino]-4-ethyl-5-fluoro-2-pyridinyl]methyl]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 166678047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).