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

C24H23N5O — CID 66678199

IUPACN-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C24H23N5O/c1-15(2)27-24(30)16-8-9-17-18(10-12-26-20(17)14-16)22-21-7-5-13-29(21)28-23(22)19-6-3-4-11-25-19/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,27,30)
InChIKeyWWVQSTGVNOMNOG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.24
Rot. Bonds4

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

N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide (PubChem CID 66678199) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
PubChem CID66678199
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C24H23N5O/c1-15(2)27-24(30)16-8-9-17-18(10-12-26-20(17)14-16)22-21-7-5-13-29(21)28-23(22)19-6-3-4-11-25-19/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,27,30)
InChIKeyWWVQSTGVNOMNOG-UHFFFAOYSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
The IUPAC name of N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide (CID 66678199) is N-propan-2-yl-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 N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide is CC(C)NC(=O)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1.
What is the InChIKey of N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
The InChIKey is WWVQSTGVNOMNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15(2)27-24(30)16-8-9-17-18(10-12-26-20(17)14-16)22-21-7-5-13-29(21)28-23(22)19-6-3-4-11-25-19/h3-4,6,8-12,14-15H,5,7,13H2,1-2H3,(H,27,30).
What are the key properties of N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide?
N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide is sourced from PubChem (CID 66678199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).