1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine

C22H20N8O2 — CID 171065261

IUPAC1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine
SMILESCNc1nn(-c2cc3c(cc2OC)NCCO3)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H20N8O2/c1-23-21-14-11-26-15(13-12-27-29-6-3-4-25-22(13)29)8-17(14)30(28-21)18-10-19-16(9-20(18)31-2)24-5-7-32-19/h3-4,6,8-12,24H,5,7H2,1-2H3,(H,23,28)
InChIKeyZBYWNYXOKZUFNY-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.98
Rot. Bonds4

About 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine

1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine (PubChem CID 171065261) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine
PubChem CID171065261
Molecular FormulaC22H20N8O2
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine
SMILESCNc1nn(-c2cc3c(cc2OC)NCCO3)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C22H20N8O2/c1-23-21-14-11-26-15(13-12-27-29-6-3-4-25-22(13)29)8-17(14)30(28-21)18-10-19-16(9-20(18)31-2)24-5-7-32-19/h3-4,6,8-12,24H,5,7H2,1-2H3,(H,23,28)
InChIKeyZBYWNYXOKZUFNY-UHFFFAOYSA-N
XLogP2.98
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(7-oxo-6-oxa-2-azaspiro[3.4]octan-2-yl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 171065193
1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 171065277
1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 171065192
1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[2-(1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 171065259
cyclopropyl 1-[2-[[1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carbonyl]amino]ethyl]piperidine-4-carboxylate
CID 171065308
[4-(dimethylamino)oxan-4-yl]methyl N-[1-(6-methoxy-3,4-dihydro-2H-1,4-benzothiazin-7-yl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 171065228
N-[1-(5-chloro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-yl]-2-(methylamino)acetamide
CID 165125548
N-[[2-chloro-5-methoxy-4-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]methanesulfonamide
CID 170648103
5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
CID 177250805
N-[3-methoxy-4-[3-(2-piperidin-1-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]phenyl]methanesulfonamide
CID 169275520
tert-butyl 7-[3-[2-[4-(3-bromopropoxycarbonyl)piperidin-1-yl]ethylcarbamoyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 171065409
N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 165125616

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine (CID 171065261) is 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine is CNc1nn(-c2cc3c(cc2OC)NCCO3)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is ZBYWNYXOKZUFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c1-23-21-14-11-26-15(13-12-27-29-6-3-4-25-22(13)29)8-17(14)30(28-21)18-10-19-16(9-20(18)31-2)24-5-7-32-19/h3-4,6,8-12,24H,5,7H2,1-2H3,(H,23,28).
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine?
1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 428.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 171065261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).