5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole

C19H16N4 — CID 11507696

IUPAC5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole
SMILESc1ccc(-c2nn3c(c2-c2ccc4[nH]ccc4c2)CCC3)nc1
InChIInChI=1S/C19H16N4/c1-2-9-20-16(4-1)19-18(17-5-3-11-23(17)22-19)14-6-7-15-13(12-14)8-10-21-15/h1-2,4,6-10,12,21H,3,5,11H2
InChIKeyQHMHAHQOXJQUDW-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.04
Rot. Bonds2

About 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole

5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole (PubChem CID 11507696) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole.

Molecular Properties

Compound Name5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole
PubChem CID11507696
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole
SMILESc1ccc(-c2nn3c(c2-c2ccc4[nH]ccc4c2)CCC3)nc1
InChIInChI=1S/C19H16N4/c1-2-9-20-16(4-1)19-18(17-5-3-11-23(17)22-19)14-6-7-15-13(12-14)8-10-21-15/h1-2,4,6-10,12,21H,3,5,11H2
InChIKeyQHMHAHQOXJQUDW-UHFFFAOYSA-N
XLogP4.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole?
The IUPAC name of 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole (CID 11507696) is 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole.
What is the SMILES notation for 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole?
The canonical SMILES for 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole is c1ccc(-c2nn3c(c2-c2ccc4[nH]ccc4c2)CCC3)nc1.
What is the InChIKey of 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole?
The InChIKey is QHMHAHQOXJQUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-9-20-16(4-1)19-18(17-5-3-11-23(17)22-19)14-6-7-15-13(12-14)8-10-21-15/h1-2,4,6-10,12,21H,3,5,11H2.
What are the key properties of 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole?
5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole has a molecular weight of 300.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole is sourced from PubChem (CID 11507696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).