methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate

C16H21N5O2 — CID 118961749

IUPACmethyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cnn([C@@H]2CNC[C@H]2C)c1C
InChIInChI=1S/C16H21N5O2/c1-10-6-18-9-15(10)21-11(2)13(8-19-21)20-14-7-17-5-4-12(14)16(22)23-3/h4-5,7-8,10,15,18,20H,6,9H2,1-3H3/t10-,15-/m1/s1
InChIKeyGGDALSPYQNMOHD-MEBBXXQBSA-N
MW315.38 g/mol
LogP1.90
Rot. Bonds4

About methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118961749) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118961749
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Namemethyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cnn([C@@H]2CNC[C@H]2C)c1C
InChIInChI=1S/C16H21N5O2/c1-10-6-18-9-15(10)21-11(2)13(8-19-21)20-14-7-17-5-4-12(14)16(22)23-3/h4-5,7-8,10,15,18,20H,6,9H2,1-3H3/t10-,15-/m1/s1
InChIKeyGGDALSPYQNMOHD-MEBBXXQBSA-N
XLogP1.90
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961725
methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961929
methyl 3-[[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961699
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961706
tert-butyl (4S)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)amino]-5-methylpyrazol-1-yl]azepane-1-carboxylate
CID 118969833
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118969788
methyl 4-(3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
CID 67233076
3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961824
methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118970016
methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961783

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118961749) is methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cnn([C@@H]2CNC[C@H]2C)c1C.
What is the InChIKey of methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is GGDALSPYQNMOHD-MEBBXXQBSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-6-18-9-15(10)21-11(2)13(8-19-21)20-14-7-17-5-4-12(14)16(22)23-3/h4-5,7-8,10,15,18,20H,6,9H2,1-3H3/t10-,15-/m1/s1.
What are the key properties of methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118961749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).