(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid

C18H22N4O4 — CID 126454534

IUPAC(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)N3CCO[C@H](C(=O)O)C3)cc(C3CC3)nc21
InChIInChI=1S/C18H22N4O4/c1-10(2)22-16-13(8-19-22)12(7-14(20-16)11-3-4-11)17(23)21-5-6-26-15(9-21)18(24)25/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyNPUONOSGOSLHKF-HNNXBMFYSA-N
MW358.40 g/mol
LogP1.82
Rot. Bonds4

About (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 126454534) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID126454534
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)N3CCO[C@H](C(=O)O)C3)cc(C3CC3)nc21
InChIInChI=1S/C18H22N4O4/c1-10(2)22-16-13(8-19-22)12(7-14(20-16)11-3-4-11)17(23)21-5-6-26-15(9-21)18(24)25/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyNPUONOSGOSLHKF-HNNXBMFYSA-N
XLogP1.82
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 17458792
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25379341
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718637
1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile
CID 166415736
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26782998
4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119357867
(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 51854360
tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
CID 86934479

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid (CID 126454534) is (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid is CC(C)n1ncc2c(C(=O)N3CCO[C@H](C(=O)O)C3)cc(C3CC3)nc21.
What is the InChIKey of (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is NPUONOSGOSLHKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10(2)22-16-13(8-19-22)12(7-14(20-16)11-3-4-11)17(23)21-5-6-26-15(9-21)18(24)25/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 126454534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).