[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C22H21N5O3 — CID 170505859

IUPAC[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1CCc2oc(CCc3cccnc3)nc2C1
InChIInChI=1S/C22H21N5O3/c28-22(20-6-5-17(29-20)14-27-11-2-10-24-27)26-12-8-19-18(15-26)25-21(30-19)7-4-16-3-1-9-23-13-16/h1-3,5-6,9-11,13H,4,7-8,12,14-15H2
InChIKeyOLSGRZZGOAPCRP-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.89
Rot. Bonds6

About [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170505859) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170505859
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1CCc2oc(CCc3cccnc3)nc2C1
InChIInChI=1S/C22H21N5O3/c28-22(20-6-5-17(29-20)14-27-11-2-10-24-27)26-12-8-19-18(15-26)25-21(30-19)7-4-16-3-1-9-23-13-16/h1-3,5-6,9-11,13H,4,7-8,12,14-15H2
InChIKeyOLSGRZZGOAPCRP-UHFFFAOYSA-N
XLogP2.89
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170511993
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 170503368
(5-methyl-1,2-oxazol-3-yl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169419113
(6-amino-2-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170508314
(5-hydroxy-3-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511016
1,3-benzoxazol-2-yl-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170512891
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 169420646
1-[4-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]piperidin-1-yl]ethanone
CID 169413357
(2,6-dimethoxy-3-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169412523
formic acid;N-[2-oxo-2-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]acetamide
CID 171338669
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-pyrazol-1-ylbutan-1-one
CID 170510767

Frequently Asked Questions

What is the IUPAC name of [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 170505859) is [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is O=C(c1ccc(Cn2cccn2)o1)N1CCc2oc(CCc3cccnc3)nc2C1.
What is the InChIKey of [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is OLSGRZZGOAPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-22(20-6-5-17(29-20)14-27-11-2-10-24-27)26-12-8-19-18(15-26)25-21(30-19)7-4-16-3-1-9-23-13-16/h1-3,5-6,9-11,13H,4,7-8,12,14-15H2.
What are the key properties of [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
[5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrazol-1-ylmethyl)furan-2-yl]-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170505859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).