(5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C17H17N5O5 — CID 176515447

IUPAC(5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCCn1nc(-c2cnco2)c2c1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2
InChIInChI=1S/C17H17N5O5/c1-2-6-21-12-5-7-20(17(23)13-3-4-15(27-13)22(24)25)9-11(12)16(19-21)14-8-18-10-26-14/h3-4,8,10H,2,5-7,9H2,1H3
InChIKeyCXAPVOYMVRVPGZ-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.65
Rot. Bonds5

About (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 176515447) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID176515447
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name(5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCCn1nc(-c2cnco2)c2c1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2
InChIInChI=1S/C17H17N5O5/c1-2-6-21-12-5-7-20(17(23)13-3-4-15(27-13)22(24)25)9-11(12)16(19-21)14-8-18-10-26-14/h3-4,8,10H,2,5-7,9H2,1H3
InChIKeyCXAPVOYMVRVPGZ-UHFFFAOYSA-N
XLogP2.65
TPSA120.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(5-methyl-1,3-oxazol-2-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-nitrofuran-2-yl)methanone
CID 176515423
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-nitrofuran-2-yl)methanone
CID 33189898
N-butyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512000
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702476
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
3-ethyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146284
(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 155534176
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082
N-benzyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512004

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 176515447) is (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CCCn1nc(-c2cnco2)c2c1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2.
What is the InChIKey of (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is CXAPVOYMVRVPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-2-6-21-12-5-7-20(17(23)13-3-4-15(27-13)22(24)25)9-11(12)16(19-21)14-8-18-10-26-14/h3-4,8,10H,2,5-7,9H2,1H3.
What are the key properties of (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 371.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-[3-(1,3-oxazol-5-yl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176515447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).