2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H31N5O — CID 95871375

IUPAC2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NC3CCN(C[C@H]4CCCO4)CC3)n2n1
InChIInChI=1S/C20H31N5O/c1-14(2)18-12-20(25-19(22-18)11-15(3)23-25)21-16-6-8-24(9-7-16)13-17-5-4-10-26-17/h11-12,14,16-17,21H,4-10,13H2,1-3H3/t17-/m1/s1
InChIKeyJNEZQOMZXNWCBV-QGZVFWFLSA-N
MW357.50 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95871375) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95871375
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NC3CCN(C[C@H]4CCCO4)CC3)n2n1
InChIInChI=1S/C20H31N5O/c1-14(2)18-12-20(25-19(22-18)11-15(3)23-25)21-16-6-8-24(9-7-16)13-17-5-4-10-26-17/h11-12,14,16-17,21H,4-10,13H2,1-3H3/t17-/m1/s1
InChIKeyJNEZQOMZXNWCBV-QGZVFWFLSA-N
XLogP3.22
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95871375) is 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(NC3CCN(C[C@H]4CCCO4)CC3)n2n1.
What is the InChIKey of 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JNEZQOMZXNWCBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O/c1-14(2)18-12-20(25-19(22-18)11-15(3)23-25)21-16-6-8-24(9-7-16)13-17-5-4-10-26-17/h11-12,14,16-17,21H,4-10,13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 357.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95871375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).