6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H20N4O3 — CID 138386954

IUPAC6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC(C4(O)CC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C16H20N4O3/c1-10-8-13-17-9-12(15(22)20(13)18-10)14(21)19-6-2-11(3-7-19)16(23)4-5-16/h8-9,11,18,23H,2-7H2,1H3
InChIKeyFSTAOXOPFCRQMG-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.71
Rot. Bonds2

About 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138386954) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138386954
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC(C4(O)CC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C16H20N4O3/c1-10-8-13-17-9-12(15(22)20(13)18-10)14(21)19-6-2-11(3-7-19)16(23)4-5-16/h8-9,11,18,23H,2-7H2,1H3
InChIKeyFSTAOXOPFCRQMG-UHFFFAOYSA-N
XLogP0.71
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 138386954) is 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCC(C4(O)CC4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FSTAOXOPFCRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-8-13-17-9-12(15(22)20(13)18-10)14(21)19-6-2-11(3-7-19)16(23)4-5-16/h8-9,11,18,23H,2-7H2,1H3.
What are the key properties of 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138386954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).