[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

C18H19N5O5 — CID 176515423

IUPAC[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
SMILESCc1cnc(-c2nn(C(C)C)c3c2CN(C(=O)c2ccc([N+](=O)[O-])o2)CC3)o1
InChIInChI=1S/C18H19N5O5/c1-10(2)22-13-6-7-21(18(24)14-4-5-15(28-14)23(25)26)9-12(13)16(20-22)17-19-8-11(3)27-17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyWDKNUHHMAICXLW-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.13
Rot. Bonds4

About [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

[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 (PubChem CID 176515423) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID176515423
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name[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
SMILESCc1cnc(-c2nn(C(C)C)c3c2CN(C(=O)c2ccc([N+](=O)[O-])o2)CC3)o1
InChIInChI=1S/C18H19N5O5/c1-10(2)22-13-6-7-21(18(24)14-4-5-15(28-14)23(25)26)9-12(13)16(20-22)17-19-8-11(3)27-17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyWDKNUHHMAICXLW-UHFFFAOYSA-N
XLogP3.13
TPSA120.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cnc(-c2nn(C(C)C)c3c2CN(C(=O)c2ccc([N+](=O)[O-])o2)CC3)o1.
What is the InChIKey of [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?
The InChIKey is WDKNUHHMAICXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-10(2)22-13-6-7-21(18(24)14-4-5-15(28-14)23(25)26)9-12(13)16(20-22)17-19-8-11(3)27-17/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 385.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 176515423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).