2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C17H23N5O2 — CID 137018760

IUPAC2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCCC1
InChIInChI=1S/C17H23N5O2/c1-11-15(17(24)21-8-2-3-9-21)16-19-14(23)10-13(22(16)20-11)12-4-6-18-7-5-12/h10,12,18H,2-9H2,1H3,(H,19,23)
InChIKeyUZGKYCHRYRPYJH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018760) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018760
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCCC1
InChIInChI=1S/C17H23N5O2/c1-11-15(17(24)21-8-2-3-9-21)16-19-14(23)10-13(22(16)20-11)12-4-6-18-7-5-12/h10,12,18H,2-9H2,1H3,(H,19,23)
InChIKeyUZGKYCHRYRPYJH-UHFFFAOYSA-N
XLogP1.03
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018760) is 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCCC1.
What is the InChIKey of 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UZGKYCHRYRPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-15(17(24)21-8-2-3-9-21)16-19-14(23)10-13(22(16)20-11)12-4-6-18-7-5-12/h10,12,18H,2-9H2,1H3,(H,19,23).
What are the key properties of 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 329.40 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-piperidin-4-yl-3-(pyrrolidine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).