5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H29N7O — CID 166594735

IUPAC5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCc3ccnn3C)cc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C20H29N7O/c1-14(2)17-13-23-27-18(21-12-15-5-8-22-26(15)4)11-19(24-20(17)27)28-16-6-9-25(3)10-7-16/h5,8,11,13-14,16,21H,6-7,9-10,12H2,1-4H3
InChIKeyIPIBQKDBYRSOMN-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.67
Rot. Bonds6

About 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 166594735) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID166594735
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCc3ccnn3C)cc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C20H29N7O/c1-14(2)17-13-23-27-18(21-12-15-5-8-22-26(15)4)11-19(24-20(17)27)28-16-6-9-25(3)10-7-16/h5,8,11,13-14,16,21H,6-7,9-10,12H2,1-4H3
InChIKeyIPIBQKDBYRSOMN-UHFFFAOYSA-N
XLogP2.67
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 166594735) is 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NCc3ccnn3C)cc(OC3CCN(C)CC3)nc12.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IPIBQKDBYRSOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14(2)17-13-23-27-18(21-12-15-5-8-22-26(15)4)11-19(24-20(17)27)28-16-6-9-25(3)10-7-16/h5,8,11,13-14,16,21H,6-7,9-10,12H2,1-4H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 383.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)oxy-N-[(2-methylpyrazol-3-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 166594735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).