1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C23H26FN7O — CID 167758822

IUPAC1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(c3ncnc4c3cnn4-c3ccccc3F)C2)o1
InChIInChI=1S/C23H26FN7O/c1-15(2)20-11-25-21(32-20)13-29(3)16-8-9-30(12-16)22-17-10-28-31(23(17)27-14-26-22)19-7-5-4-6-18(19)24/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3
InChIKeyAWTRGROJTQCAPX-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.78
Rot. Bonds6

About 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 167758822) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID167758822
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(c3ncnc4c3cnn4-c3ccccc3F)C2)o1
InChIInChI=1S/C23H26FN7O/c1-15(2)20-11-25-21(32-20)13-29(3)16-8-9-30(12-16)22-17-10-28-31(23(17)27-14-26-22)19-7-5-4-6-18(19)24/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3
InChIKeyAWTRGROJTQCAPX-UHFFFAOYSA-N
XLogP3.78
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 167758822) is 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CC(C)c1cnc(CN(C)C2CCN(c3ncnc4c3cnn4-c3ccccc3F)C2)o1.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is AWTRGROJTQCAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-15(2)20-11-25-21(32-20)13-29(3)16-8-9-30(12-16)22-17-10-28-31(23(17)27-14-26-22)19-7-5-4-6-18(19)24/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3.
What are the key properties of 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 435.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 167758822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).