2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C19H17ClN6O — CID 162760042

IUPAC2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1(C)Cn2nc(-c3ccncc3Cl)c(-c3ccnc4[nH]ncc34)c2CO1
InChIInChI=1S/C19H17ClN6O/c1-19(2)10-26-15(9-27-19)16(11-4-6-22-18-13(11)7-23-24-18)17(25-26)12-3-5-21-8-14(12)20/h3-8H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyUXTUYCOSPZKRJH-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760042) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760042
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1(C)Cn2nc(-c3ccncc3Cl)c(-c3ccnc4[nH]ncc34)c2CO1
InChIInChI=1S/C19H17ClN6O/c1-19(2)10-26-15(9-27-19)16(11-4-6-22-18-13(11)7-23-24-18)17(25-26)12-3-5-21-8-14(12)20/h3-8H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyUXTUYCOSPZKRJH-UHFFFAOYSA-N
XLogP3.85
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

4,4-dideuterio-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-7H-pyrazolo[5,1-c][1,4]oxazine
CID 169305935
4-[2-(4-fluorophenyl)-5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760320
4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760469
3-(3-bromo-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760310
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305964
3-[6-(difluoromethyl)-1H-pyrazolo[5,4-b]pyridin-4-yl]-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760335
(6R)-6-(fluoromethyl)-2-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169305874
6-cyclopropyl-2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001904
4-[(6S)-6-(difluoromethoxymethyl)-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 175448891
(6S)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169306013
CID 174148933
CID 174148933
4-[2-(3,5-difluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760287

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760042) is 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is CC1(C)Cn2nc(-c3ccncc3Cl)c(-c3ccnc4[nH]ncc34)c2CO1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is UXTUYCOSPZKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-19(2)10-26-15(9-27-19)16(11-4-6-22-18-13(11)7-23-24-18)17(25-26)12-3-5-21-8-14(12)20/h3-8H,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 380.84 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).