3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one

C25H32N6O2 — CID 124972613

IUPAC3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C25H32N6O2/c1-18-22(5-6-25(32)30-10-12-33-13-11-30)19(2)31-24(27-18)14-23(28-31)21-7-9-29(17-21)16-20-4-3-8-26-15-20/h3-4,8,14-15,21H,5-7,9-13,16-17H2,1-2H3/t21-/m1/s1
InChIKeyKEIRAGLHFWYQIJ-OAQYLSRUSA-N
MW448.57 g/mol
LogP2.52
Rot. Bonds6

About 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one

3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 124972613) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID124972613
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C25H32N6O2/c1-18-22(5-6-25(32)30-10-12-33-13-11-30)19(2)31-24(27-18)14-23(28-31)21-7-9-29(17-21)16-20-4-3-8-26-15-20/h3-4,8,14-15,21H,5-7,9-13,16-17H2,1-2H3/t21-/m1/s1
InChIKeyKEIRAGLHFWYQIJ-OAQYLSRUSA-N
XLogP2.52
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110091482
3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 125022741
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 126417241
3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 20863308
3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 95811580
N-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110091486
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 124946689
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 51327542
3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 110091480
2-[1-methyl-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-5-yl]ethanol
CID 110256928
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one (CID 124972613) is 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one is Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KEIRAGLHFWYQIJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-18-22(5-6-25(32)30-10-12-33-13-11-30)19(2)31-24(27-18)14-23(28-31)21-7-9-29(17-21)16-20-4-3-8-26-15-20/h3-4,8,14-15,21H,5-7,9-13,16-17H2,1-2H3/t21-/m1/s1.
What are the key properties of 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 448.57 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 124972613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).