[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C22H19N5O2 — CID 90652271

IUPAC[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C22H19N5O2/c28-14-16-11-17-13-26(9-10-27(17)25-16)22(29)19-12-21(15-5-7-23-8-6-15)24-20-4-2-1-3-18(19)20/h1-8,11-12,28H,9-10,13-14H2
InChIKeyBBKOTQIVBQVJTQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.64
Rot. Bonds3

About [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 90652271) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID90652271
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C22H19N5O2/c28-14-16-11-17-13-26(9-10-27(17)25-16)22(29)19-12-21(15-5-7-23-8-6-15)24-20-4-2-1-3-18(19)20/h1-8,11-12,28H,9-10,13-14H2
InChIKeyBBKOTQIVBQVJTQ-UHFFFAOYSA-N
XLogP2.64
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 91795630
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-quinazolin-4-yloxyethanone
CID 91765869
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
[4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375114
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 90652271) is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCn2nc(CO)cc2C1.
What is the InChIKey of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is BBKOTQIVBQVJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-14-16-11-17-13-26(9-10-27(17)25-16)22(29)19-12-21(15-5-7-23-8-6-15)24-20-4-2-1-3-18(19)20/h1-8,11-12,28H,9-10,13-14H2.
What are the key properties of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 385.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 90652271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).