2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H21N5O3 — CID 70775799

IUPAC2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCCC(OCc4ccccn4)C3)c(=O)n2[nH]1
InChIInChI=1S/C19H21N5O3/c1-13-9-17-21-10-16(19(26)24(17)22-13)18(25)23-8-4-6-15(11-23)27-12-14-5-2-3-7-20-14/h2-3,5,7,9-10,15,22H,4,6,8,11-12H2,1H3
InChIKeyILHXMAGPHAANNK-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70775799) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70775799
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCCC(OCc4ccccn4)C3)c(=O)n2[nH]1
InChIInChI=1S/C19H21N5O3/c1-13-9-17-21-10-16(19(26)24(17)22-13)18(25)23-8-4-6-15(11-23)27-12-14-5-2-3-7-20-14/h2-3,5,7,9-10,15,22H,4,6,8,11-12H2,1H3
InChIKeyILHXMAGPHAANNK-UHFFFAOYSA-N
XLogP1.55
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70775799) is 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCCC(OCc4ccccn4)C3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ILHXMAGPHAANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-9-17-21-10-16(19(26)24(17)22-13)18(25)23-8-4-6-15(11-23)27-12-14-5-2-3-7-20-14/h2-3,5,7,9-10,15,22H,4,6,8,11-12H2,1H3.
What are the key properties of 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 367.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70775799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).