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

C17H25N5O — CID 137018659

IUPAC3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC[C@H]1CCCN1Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H25N5O/c1-12-3-2-8-21(12)11-14-10-19-22-15(9-16(23)20-17(14)22)13-4-6-18-7-5-13/h9-10,12-13,18H,2-8,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyHRFKAZFRIONPAJ-LBPRGKRZSA-N
MW315.42 g/mol
LogP1.47
Rot. Bonds3

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

3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018659) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018659
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC[C@H]1CCCN1Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H25N5O/c1-12-3-2-8-21(12)11-14-10-19-22-15(9-16(23)20-17(14)22)13-4-6-18-7-5-13/h9-10,12-13,18H,2-8,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyHRFKAZFRIONPAJ-LBPRGKRZSA-N
XLogP1.47
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 101
CID 137018280
US10118930, Example 103
CID 137018571
US10118930, Example 326
CID 137018650
US10118930, Example 362
CID 137018668
US10118930, Example 51
CID 137018245
US10118930, Example 40
CID 137018256
US10118930, Example 83
CID 137018276
US10118930, Example 82
CID 137018277
US10118930, Example 100
CID 137018279
US10118930, Example 98
CID 137018284
US10118930, Example 99
CID 137018285

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018659) is 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is C[C@H]1CCCN1Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is HRFKAZFRIONPAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-3-2-8-21(12)11-14-10-19-22-15(9-16(23)20-17(14)22)13-4-6-18-7-5-13/h9-10,12-13,18H,2-8,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 315.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).