[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone

C24H20N4O3 — CID 52947491

IUPAC[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc3c(c2)Cc2cn[nH]c2-3)c(-c2ccncc2)o1)N1CCOCC1
InChIInChI=1S/C24H20N4O3/c29-24(28-7-9-30-10-8-28)21-13-20(23(31-21)15-3-5-25-6-4-15)16-1-2-19-17(11-16)12-18-14-26-27-22(18)19/h1-6,11,13-14H,7-10,12H2,(H,26,27)
InChIKeyPODSYLIWTRZWJI-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.78
Rot. Bonds3

About [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone

[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone (PubChem CID 52947491) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone
PubChem CID52947491
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc3c(c2)Cc2cn[nH]c2-3)c(-c2ccncc2)o1)N1CCOCC1
InChIInChI=1S/C24H20N4O3/c29-24(28-7-9-30-10-8-28)21-13-20(23(31-21)15-3-5-25-6-4-15)16-1-2-19-17(11-16)12-18-14-26-27-22(18)19/h1-6,11,13-14H,7-10,12H2,(H,26,27)
InChIKeyPODSYLIWTRZWJI-UHFFFAOYSA-N
XLogP3.78
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone (CID 52947491) is [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc3c(c2)Cc2cn[nH]c2-3)c(-c2ccncc2)o1)N1CCOCC1.
What is the InChIKey of [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PODSYLIWTRZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-24(28-7-9-30-10-8-28)21-13-20(23(31-21)15-3-5-25-6-4-15)16-1-2-19-17(11-16)12-18-14-26-27-22(18)19/h1-6,11,13-14H,7-10,12H2,(H,26,27).
What are the key properties of [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone?
[4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone has a molecular weight of 412.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 52947491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).