6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C23H21N7O — CID 91574998

IUPAC6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(o1)CCN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1C)C2
InChIInChI=1S/C23H21N7O/c1-13-21(24)30-23(28-22(13)29-8-7-20-19(12-29)27-14(2)31-20)17(11-26-30)16-9-15-5-3-4-6-18(15)25-10-16/h3-6,9-11H,7-8,12,24H2,1-2H3
InChIKeyJMLHUILWRUJFIK-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.69
Rot. Bonds2

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

6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 91574998) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID91574998
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(o1)CCN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1C)C2
InChIInChI=1S/C23H21N7O/c1-13-21(24)30-23(28-22(13)29-8-7-20-19(12-29)27-14(2)31-20)17(11-26-30)16-9-15-5-3-4-6-18(15)25-10-16/h3-6,9-11H,7-8,12,24H2,1-2H3
InChIKeyJMLHUILWRUJFIK-UHFFFAOYSA-N
XLogP3.69
TPSA98.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[4-fluoro-3-(6-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 155514062
US10071079, Example 31
CID 132271935
US10071079, Example 372
CID 132272248
US10071079, Example 378
CID 132272254
US10071079, Example 384
CID 132272258
US10071079, Example 439
CID 132272308
10-[2-[4-[5-(2,5-Dimethyl-1,3-oxazol-4-yl)-2-fluorophenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 59295814
1-[7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70218288
7-amino-3-(6-fluoroquinolin-3-yl)-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 88216797
2-methyl-5-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 90398555
5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 90398832
3-(6-Fluoroquinolin-3-yl)-6-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine
CID 91059150

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 91574998) is 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(o1)CCN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1C)C2.
What is the InChIKey of 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JMLHUILWRUJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-13-21(24)30-23(28-22(13)29-8-7-20-19(12-29)27-14(2)31-20)17(11-26-30)16-9-15-5-3-4-6-18(15)25-10-16/h3-6,9-11H,7-8,12,24H2,1-2H3.
What are the key properties of 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 411.47 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 91574998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).