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

C21H17N5O — CID 66678679

IUPAC4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C21H17N5O/c22-21(27)13-6-7-14-15(8-10-24-17(14)12-13)19-18-5-3-11-26(18)25-20(19)16-4-1-2-9-23-16/h1-2,4,6-10,12H,3,5,11H2,(H2,22,27)
InChIKeyCEEIVMLJLRXSOA-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.21
Rot. Bonds3

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

4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide (PubChem CID 66678679) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
PubChem CID66678679
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C21H17N5O/c22-21(27)13-6-7-14-15(8-10-24-17(14)12-13)19-18-5-3-11-26(18)25-20(19)16-4-1-2-9-23-16/h1-2,4,6-10,12H,3,5,11H2,(H2,22,27)
InChIKeyCEEIVMLJLRXSOA-UHFFFAOYSA-N
XLogP3.21
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
The IUPAC name of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide (CID 66678679) is 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide.
What is the SMILES notation for 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
The canonical SMILES for 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide is NC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1.
What is the InChIKey of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
The InChIKey is CEEIVMLJLRXSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-21(27)13-6-7-14-15(8-10-24-17(14)12-13)19-18-5-3-11-26(18)25-20(19)16-4-1-2-9-23-16/h1-2,4,6-10,12H,3,5,11H2,(H2,22,27).
What are the key properties of 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide is sourced from PubChem (CID 66678679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).