[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone

C22H29N5O3 — CID 38492035

IUPAC[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C22H29N5O3/c1-14-19-17(13-18(15-3-4-15)23-20(19)25(2)24-14)22(29)26-7-5-16(6-8-26)21(28)27-9-11-30-12-10-27/h13,15-16H,3-12H2,1-2H3
InChIKeyDQOVVPZGGBGRAB-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.87
Rot. Bonds3

About [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 38492035) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID38492035
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c12
InChIInChI=1S/C22H29N5O3/c1-14-19-17(13-18(15-3-4-15)23-20(19)25(2)24-14)22(29)26-7-5-16(6-8-26)21(28)27-9-11-30-12-10-27/h13,15-16H,3-12H2,1-2H3
InChIKeyDQOVVPZGGBGRAB-UHFFFAOYSA-N
XLogP1.87
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 16622883
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 35612520
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
2-methylpropyl 4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 60620608
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38210528
6-cyclopropyl-N,1,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30755450
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16609817

Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 38492035) is [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c12.
What is the InChIKey of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DQOVVPZGGBGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-19-17(13-18(15-3-4-15)23-20(19)25(2)24-14)22(29)26-7-5-16(6-8-26)21(28)27-9-11-30-12-10-27/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 411.51 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38492035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).