methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate

C24H27N5O4 — CID 118970016

IUPACmethyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C)nc1C
InChIInChI=1S/C24H27N5O4/c1-16-12-28(24(31)33-15-18-7-5-4-6-8-18)14-22(16)29-13-21(17(2)27-29)26-20-11-25-10-9-19(20)23(30)32-3/h4-11,13,16,22,26H,12,14-15H2,1-3H3/t16-,22+/m0/s1
InChIKeyMWSMYSCPVDBIFQ-KSFYIVLOSA-N
MW449.51 g/mol
LogP3.95
Rot. Bonds6

About methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118970016) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118970016
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Namemethyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C)nc1C
InChIInChI=1S/C24H27N5O4/c1-16-12-28(24(31)33-15-18-7-5-4-6-8-18)14-22(16)29-13-21(17(2)27-29)26-20-11-25-10-9-19(20)23(30)32-3/h4-11,13,16,22,26H,12,14-15H2,1-3H3/t16-,22+/m0/s1
InChIKeyMWSMYSCPVDBIFQ-KSFYIVLOSA-N
XLogP3.95
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118969788
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
CID 70961150
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961749
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
benzyl (1S,5S)-6-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
CID 23636157
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
(3S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58284680
benzyl 3-fluoro-4-methoxypyrrolidine-1-carboxylate
CID 20746063

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118970016) is methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cn([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C)nc1C.
What is the InChIKey of methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is MWSMYSCPVDBIFQ-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-16-12-28(24(31)33-15-18-7-5-4-6-8-18)14-22(16)29-13-21(17(2)27-29)26-20-11-25-10-9-19(20)23(30)32-3/h4-11,13,16,22,26H,12,14-15H2,1-3H3/t16-,22+/m0/s1.
What are the key properties of methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118970016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).