4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine

C25H25N7O — CID 141473580

IUPAC4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
SMILESC[C@@H](c1ccc2ncc(N3CCOCC3)cc2c1)c1cnn2ccc(-c3cnn(C)c3)nc12
InChIInChI=1S/C25H25N7O/c1-17(22-15-28-32-6-5-24(29-25(22)32)20-13-27-30(2)16-20)18-3-4-23-19(11-18)12-21(14-26-23)31-7-9-33-10-8-31/h3-6,11-17H,7-10H2,1-2H3/t17-/m0/s1
InChIKeyORNSOGOAUSPWHK-KRWDZBQOSA-N
MW439.52 g/mol
LogP3.67
Rot. Bonds4

About 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine

4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine (PubChem CID 141473580) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
PubChem CID141473580
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
SMILESC[C@@H](c1ccc2ncc(N3CCOCC3)cc2c1)c1cnn2ccc(-c3cnn(C)c3)nc12
InChIInChI=1S/C25H25N7O/c1-17(22-15-28-32-6-5-24(29-25(22)32)20-13-27-30(2)16-20)18-3-4-23-19(11-18)12-21(14-26-23)31-7-9-33-10-8-31/h3-6,11-17H,7-10H2,1-2H3/t17-/m0/s1
InChIKeyORNSOGOAUSPWHK-KRWDZBQOSA-N
XLogP3.67
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
3-(4-morpholin-4-ylphenyl)-N-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662248
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426
5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 141377477
4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
CID 135220827
4-(1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 170020349
8-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721683
4-(2-chloro-3-ethylquinolin-6-yl)morpholine
CID 63231613
11-(1-methylpyrazol-4-yl)-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 145157569
4-[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]morpholine
CID 90468211
3-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 59341830
4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine
CID 172819597

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
The IUPAC name of 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine (CID 141473580) is 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
The canonical SMILES for 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine is C[C@@H](c1ccc2ncc(N3CCOCC3)cc2c1)c1cnn2ccc(-c3cnn(C)c3)nc12.
What is the InChIKey of 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
The InChIKey is ORNSOGOAUSPWHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N7O/c1-17(22-15-28-32-6-5-24(29-25(22)32)20-13-27-30(2)16-20)18-3-4-23-19(11-18)12-21(14-26-23)31-7-9-33-10-8-31/h3-6,11-17H,7-10H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine has a molecular weight of 439.52 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine is sourced from PubChem (CID 141473580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).