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

C22H19N5O — CID 53316426

IUPAC4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4cc(C(N)=O)ccc24)CCC3)n1
InChIInChI=1S/C22H19N5O/c1-13-4-2-5-17(25-13)21-20(19-6-3-11-27(19)26-21)16-9-10-24-18-12-14(22(23)28)7-8-15(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKeyPBLNPFVCOVYAKI-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.51
Rot. Bonds3

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

4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide (PubChem CID 53316426) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide
PubChem CID53316426
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccnc4cc(C(N)=O)ccc24)CCC3)n1
InChIInChI=1S/C22H19N5O/c1-13-4-2-5-17(25-13)21-20(19-6-3-11-27(19)26-21)16-9-10-24-18-12-14(22(23)28)7-8-15(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKeyPBLNPFVCOVYAKI-UHFFFAOYSA-N
XLogP3.51
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide?
The IUPAC name of 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide (CID 53316426) is 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide.
What is the SMILES notation for 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide?
The canonical SMILES for 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide is Cc1cccc(-c2nn3c(c2-c2ccnc4cc(C(N)=O)ccc24)CCC3)n1.
What is the InChIKey of 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide?
The InChIKey is PBLNPFVCOVYAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-13-4-2-5-17(25-13)21-20(19-6-3-11-27(19)26-21)16-9-10-24-18-12-14(22(23)28)7-8-15(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28).
What are the key properties of 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide?
4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-7-carboxamide is sourced from PubChem (CID 53316426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).