[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol

C21H18N4O — CID 10154449

IUPAC[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1
InChIInChI=1S/C21H18N4O/c26-13-14-5-3-8-18(23-14)21-20(19-9-4-12-25(19)24-21)16-10-11-22-17-7-2-1-6-15(16)17/h1-3,5-8,10-11,26H,4,9,12-13H2
InChIKeyAYZFASJEKVZURA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.60
Rot. Bonds3

About [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol

[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol (PubChem CID 10154449) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol
PubChem CID10154449
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1
InChIInChI=1S/C21H18N4O/c26-13-14-5-3-8-18(23-14)21-20(19-9-4-12-25(19)24-21)16-10-11-22-17-7-2-1-6-15(16)17/h1-3,5-8,10-11,26H,4,9,12-13H2
InChIKeyAYZFASJEKVZURA-UHFFFAOYSA-N
XLogP3.60
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol with MolForge

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Related Compounds

4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol
CID 135433972
ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 91242747
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 66678679
6-isocyano-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
CID 59323496
N,N-dimethyl-3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzenecarbothioamide
CID 10206741
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
2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone
CID 126698221
2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,5-naphthyridine
CID 10335725
[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-(pyridin-4-ylmethyl)carbamate
CID 69366839
7-cyclohexyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
CID 10029260
[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate
CID 69366201
N-(2-phenylethyl)-3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxypropan-1-amine
CID 69365385

Frequently Asked Questions

What is the IUPAC name of [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol (CID 10154449) is [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol is OCc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1.
What is the InChIKey of [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol?
The InChIKey is AYZFASJEKVZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-13-14-5-3-8-18(23-14)21-20(19-9-4-12-25(19)24-21)16-10-11-22-17-7-2-1-6-15(16)17/h1-3,5-8,10-11,26H,4,9,12-13H2.
What are the key properties of [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol?
[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol has a molecular weight of 342.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 10154449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).