2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H25N5O — CID 124827161

IUPAC2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc([C@@H]3CCCN(C[C@H]4CCOC4)C3)cc(N)n2n1
InChIInChI=1S/C17H25N5O/c1-12-7-17-19-15(8-16(18)22(17)20-12)14-3-2-5-21(10-14)9-13-4-6-23-11-13/h7-8,13-14H,2-6,9-11,18H2,1H3/t13-,14-/m1/s1
InChIKeyHEGGMZDENSRUTJ-ZIAGYGMSSA-N
MW315.42 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 124827161) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID124827161
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc([C@@H]3CCCN(C[C@H]4CCOC4)C3)cc(N)n2n1
InChIInChI=1S/C17H25N5O/c1-12-7-17-19-15(8-16(18)22(17)20-12)14-3-2-5-21(10-14)9-13-4-6-23-11-13/h7-8,13-14H,2-6,9-11,18H2,1H3/t13-,14-/m1/s1
InChIKeyHEGGMZDENSRUTJ-ZIAGYGMSSA-N
XLogP1.84
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 124827161) is 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc([C@@H]3CCCN(C[C@H]4CCOC4)C3)cc(N)n2n1.
What is the InChIKey of 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HEGGMZDENSRUTJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-7-17-19-15(8-16(18)22(17)20-12)14-3-2-5-21(10-14)9-13-4-6-23-11-13/h7-8,13-14H,2-6,9-11,18H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 124827161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).