ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

C25H30N4 — CID 91242747

IUPACethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
SMILESCC.CC.Cc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C21H18N4.2C2H6/c1-14-7-8-15-16(9-11-23-18(15)13-14)20-19-6-4-12-25(19)24-21(20)17-5-2-3-10-22-17;2*1-2/h2-3,5,7-11,13H,4,6,12H2,1H3;2*1-2H3
InChIKeyWISYLANAPWNCMU-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.47
Rot. Bonds2

About ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (PubChem CID 91242747) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.

Molecular Properties

Compound Nameethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
PubChem CID91242747
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Nameethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
SMILESCC.CC.Cc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C21H18N4.2C2H6/c1-14-7-8-15-16(9-11-23-18(15)13-14)20-19-6-4-12-25(19)24-21(20)17-5-2-3-10-22-17;2*1-2/h2-3,5,7-11,13H,4,6,12H2,1H3;2*1-2H3
InChIKeyWISYLANAPWNCMU-UHFFFAOYSA-N
XLogP6.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The IUPAC name of ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline (CID 91242747) is ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline.
What is the SMILES notation for ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The canonical SMILES for ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is CC.CC.Cc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1.
What is the InChIKey of ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
The InChIKey is WISYLANAPWNCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4.2C2H6/c1-14-7-8-15-16(9-11-23-18(15)13-14)20-19-6-4-12-25(19)24-21(20)17-5-2-3-10-22-17;2*1-2/h2-3,5,7-11,13H,4,6,12H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline?
ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline has a molecular weight of 386.54 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline is sourced from PubChem (CID 91242747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).