4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol

C22H20N4O — CID 135433972

IUPAC4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol
SMILESOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCCCC4)ccnc2c1
InChIInChI=1S/C22H20N4O/c27-15-8-9-16-17(10-12-24-19(16)14-15)21-20-7-2-1-5-13-26(20)25-22(21)18-6-3-4-11-23-18/h3-4,6,8-12,14,27H,1-2,5,7,13H2
InChIKeyHQCZEXRIIIDVFX-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.59
Rot. Bonds2

About 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol

4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol (PubChem CID 135433972) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol.

Molecular Properties

Compound Name4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol
PubChem CID135433972
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol
SMILESOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCCCC4)ccnc2c1
InChIInChI=1S/C22H20N4O/c27-15-8-9-16-17(10-12-24-19(16)14-15)21-20-7-2-1-5-13-26(20)25-22(21)18-6-3-4-11-23-18/h3-4,6,8-12,14,27H,1-2,5,7,13H2
InChIKeyHQCZEXRIIIDVFX-UHFFFAOYSA-N
XLogP4.59
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol with MolForge

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Related Compounds

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
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
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
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
[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
[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
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
[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol
CID 10154449
2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,5-naphthyridine
CID 10335725
7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 10224794

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol?
The IUPAC name of 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol (CID 135433972) is 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol.
What is the SMILES notation for 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol?
The canonical SMILES for 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol is Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCCCC4)ccnc2c1.
What is the InChIKey of 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol?
The InChIKey is HQCZEXRIIIDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-15-8-9-16-17(10-12-24-19(16)14-15)21-20-7-2-1-5-13-26(20)25-22(21)18-6-3-4-11-23-18/h3-4,6,8-12,14,27H,1-2,5,7,13H2.
What are the key properties of 4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol?
4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol has a molecular weight of 356.43 g/mol, XLogP of 4.59, 2 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-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol is sourced from PubChem (CID 135433972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).