methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate

C21H29N5O4 — CID 118961783

IUPACmethyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C
InChIInChI=1S/C21H29N5O4/c1-14-18(23-17-12-22-9-6-16(17)19(27)29-5)13-26(24-14)15-7-10-25(11-8-15)20(28)30-21(2,3)4/h6,9,12-13,15,23H,7-8,10-11H2,1-5H3
InChIKeySORJXGKXIWFLIZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.69
Rot. Bonds4

About methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118961783) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118961783
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Namemethyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C
InChIInChI=1S/C21H29N5O4/c1-14-18(23-17-12-22-9-6-16(17)19(27)29-5)13-26(24-14)15-7-10-25(11-8-15)20(28)30-21(2,3)4/h6,9,12-13,15,23H,7-8,10-11H2,1-5H3
InChIKeySORJXGKXIWFLIZ-UHFFFAOYSA-N
XLogP3.69
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (4R)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)amino]-3-methylpyrazol-1-yl]azepane-1-carboxylate
CID 118969832
tert-butyl (4S)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)amino]-5-methylpyrazol-1-yl]azepane-1-carboxylate
CID 118969833
3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961719
3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961824
tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 168889391
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
tert-butyl 4-(4-methoxycarbonyl-5-methyl-2-methylsulfonylphenyl)piperidine-1-carboxylate
CID 66559776
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 139409469
methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961929
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
tert-butyl 4-[4-[(6-cyano-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 155458519

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118961783) is methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C.
What is the InChIKey of methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is SORJXGKXIWFLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-14-18(23-17-12-22-9-6-16(17)19(27)29-5)13-26(24-14)15-7-10-25(11-8-15)20(28)30-21(2,3)4/h6,9,12-13,15,23H,7-8,10-11H2,1-5H3.
What are the key properties of methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 3.69, 4 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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118961783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).