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

C17H23N5O2 — CID 137018531

IUPAC3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC[C@H]1CCCN1C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H23N5O2/c1-11-3-2-8-21(11)17(24)13-10-19-22-14(9-15(23)20-16(13)22)12-4-6-18-7-5-12/h9-12,18H,2-8H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyWKMINTYKELLTOA-NSHDSACASA-N
MW329.40 g/mol
LogP1.11
Rot. Bonds2

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

3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018531) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018531
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC[C@H]1CCCN1C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H23N5O2/c1-11-3-2-8-21(11)17(24)13-10-19-22-14(9-15(23)20-16(13)22)12-4-6-18-7-5-12/h9-12,18H,2-8H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyWKMINTYKELLTOA-NSHDSACASA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018531) is 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is C[C@H]1CCCN1C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WKMINTYKELLTOA-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-3-2-8-21(11)17(24)13-10-19-22-14(9-15(23)20-16(13)22)12-4-6-18-7-5-12/h9-12,18H,2-8H2,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 329.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).