2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C23H25N7O — CID 71099793

IUPAC2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N[C@@H]3CCOC3)n2n1
InChIInChI=1S/C23H25N7O/c1-15-23(26-18-7-3-2-6-17(18)24-15)19-12-21-27-20(29-9-4-5-10-29)13-22(30(21)28-19)25-16-8-11-31-14-16/h2-3,6-7,12-13,16,25H,4-5,8-11,14H2,1H3/t16-/m1/s1
InChIKeyYKHLGBQOUPPHPE-MRXNPFEDSA-N
MW415.50 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71099793) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71099793
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N[C@@H]3CCOC3)n2n1
InChIInChI=1S/C23H25N7O/c1-15-23(26-18-7-3-2-6-17(18)24-15)19-12-21-27-20(29-9-4-5-10-29)13-22(30(21)28-19)25-16-8-11-31-14-16/h2-3,6-7,12-13,16,25H,4-5,8-11,14H2,1H3/t16-/m1/s1
InChIKeyYKHLGBQOUPPHPE-MRXNPFEDSA-N
XLogP3.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71099793) is 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3)cc(N[C@@H]3CCOC3)n2n1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YKHLGBQOUPPHPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15-23(26-18-7-3-2-6-17(18)24-15)19-12-21-27-20(29-9-4-5-10-29)13-22(30(21)28-19)25-16-8-11-31-14-16/h2-3,6-7,12-13,16,25H,4-5,8-11,14H2,1H3/t16-/m1/s1.
What are the key properties of 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 415.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)-N-[(3R)-oxolan-3-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71099793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).