[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C21H26N6O2 — CID 128883391

IUPAC[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c2c(C(C)C)noc2n1
InChIInChI=1S/C21H26N6O2/c1-12(2)19-18-16(8-13(3)24-20(18)29-25-19)21(28)26-6-4-15(5-7-26)27-17-11-22-9-14(17)10-23-27/h8,10,12,15,22H,4-7,9,11H2,1-3H3
InChIKeyXEXWGNYTDRPLET-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.93
Rot. Bonds3

About [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 128883391) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID128883391
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c2c(C(C)C)noc2n1
InChIInChI=1S/C21H26N6O2/c1-12(2)19-18-16(8-13(3)24-20(18)29-25-19)21(28)26-6-4-15(5-7-26)27-17-11-22-9-14(17)10-23-27/h8,10,12,15,22H,4-7,9,11H2,1-3H3
InChIKeyXEXWGNYTDRPLET-UHFFFAOYSA-N
XLogP2.93
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 126785494
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 154841987
(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 120571521
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone
CID 166298602
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 128883127
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrrol-2-yl]methanone
CID 167840712
1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983183
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
N-[(4S,5S)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-5-hydroxyazepan-4-yl]acetamide
CID 110126922
6-methyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392497

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 128883391) is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)c2c(C(C)C)noc2n1.
What is the InChIKey of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is XEXWGNYTDRPLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-12(2)19-18-16(8-13(3)24-20(18)29-25-19)21(28)26-6-4-15(5-7-26)27-17-11-22-9-14(17)10-23-27/h8,10,12,15,22H,4-7,9,11H2,1-3H3.
What are the key properties of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 128883391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).