3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C22H19F3N4O2 — CID 146515949

IUPAC3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3c1OCCC3)C2
InChIInChI=1S/C22H19F3N4O2/c1-28-20(12-9-15(23)19(25)16(24)10-12)13-5-7-29(11-18(13)27-28)22(30)14-4-6-26-17-3-2-8-31-21(14)17/h4,6,9-10H,2-3,5,7-8,11H2,1H3
InChIKeySLVKIDBNXNDYTA-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.42
Rot. Bonds2

About 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146515949) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID146515949
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3c1OCCC3)C2
InChIInChI=1S/C22H19F3N4O2/c1-28-20(12-9-15(23)19(25)16(24)10-12)13-5-7-29(11-18(13)27-28)22(30)14-4-6-26-17-3-2-8-31-21(14)17/h4,6,9-10H,2-3,5,7-8,11H2,1H3
InChIKeySLVKIDBNXNDYTA-UHFFFAOYSA-N
XLogP3.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516327
[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1H-pyrazolo[3,4-b]pyridin-4-yl)methanone
CID 146515629
(1-methylindol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516245
(1-methylindazol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515494
(2-chloro-3-methoxyphenyl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515459
[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,2,3,4-tetrahydroisoquinolin-8-yl)methanone
CID 146515945
(3-methylimidazo[1,5-a]pyridin-6-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515616
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
(5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515745
[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515717
(1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516336
[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515545

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146515949) is 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)CCN(C(=O)c1ccnc3c1OCCC3)C2.
What is the InChIKey of 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is SLVKIDBNXNDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-28-20(12-9-15(23)19(25)16(24)10-12)13-5-7-29(11-18(13)27-28)22(30)14-4-6-26-17-3-2-8-31-21(14)17/h4,6,9-10H,2-3,5,7-8,11H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 428.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146515949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).