methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate

C22H25N5O3 — CID 118969838

IUPACmethyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1CCN1CCOCC1
InChIInChI=1S/C22H25N5O3/c1-29-22(28)18-7-8-23-16-20(18)25-21-19(17-5-3-2-4-6-17)15-24-27(21)10-9-26-11-13-30-14-12-26/h2-8,15-16,25H,9-14H2,1H3
InChIKeyGPVYUWJMPLSXIN-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.81
Rot. Bonds7

About methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate

methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate (PubChem CID 118969838) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate
PubChem CID118969838
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namemethyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1CCN1CCOCC1
InChIInChI=1S/C22H25N5O3/c1-29-22(28)18-7-8-23-16-20(18)25-21-19(17-5-3-2-4-6-17)15-24-27(21)10-9-26-11-13-30-14-12-26/h2-8,15-16,25H,9-14H2,1H3
InChIKeyGPVYUWJMPLSXIN-UHFFFAOYSA-N
XLogP2.81
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-anilinopyridine-4-carboxylate
CID 14221935
3-[[1-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961708
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961706
3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid
CID 160561273
1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 118791224
methyl 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
CID 160621511
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
CID 159206395
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
3-(2-phenylanilino)pyridine-4-carboxylic acid
CID 71766720
methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216554
methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118969788

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate (CID 118969838) is methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1CCN1CCOCC1.
What is the InChIKey of methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate?
The InChIKey is GPVYUWJMPLSXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-22(28)18-7-8-23-16-20(18)25-21-19(17-5-3-2-4-6-17)15-24-27(21)10-9-26-11-13-30-14-12-26/h2-8,15-16,25H,9-14H2,1H3.
What are the key properties of methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate?
methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118969838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).