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

C17H23N5O2 — CID 137018455

IUPAC3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC[C@@H]1CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1
InChIInChI=1S/C17H23N5O2/c1-11-4-7-21(10-11)17(24)13-9-19-22-14(8-15(23)20-16(13)22)12-2-5-18-6-3-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyNRHKMXYKUQSEBW-LLVKDONJSA-N
MW329.40 g/mol
LogP0.97
Rot. Bonds2

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

3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018455) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018455
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESC[C@@H]1CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1
InChIInChI=1S/C17H23N5O2/c1-11-4-7-21(10-11)17(24)13-9-19-22-14(8-15(23)20-16(13)22)12-2-5-18-6-3-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyNRHKMXYKUQSEBW-LLVKDONJSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
(13E,14E,22R,31S,5S)-35-fluoro-5-methyl-31,32-dihydro-7-aza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(3,1)-pyridina-2(1,2)-pyrrolidinacyclooctaphane-32,8-dione
CID 54670441
(6R,13R)-9-fluoro-13-methyl-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
CID 54670442
6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 103
CID 137018571
US10118930, Example 429
CID 137018588
US10118930, Example 463
CID 137018607
US10118930, Example 326
CID 137018650
US10118930, Example 362
CID 137018668

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018455) is 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is C[C@@H]1CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)C1.
What is the InChIKey of 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NRHKMXYKUQSEBW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-4-7-21(10-11)17(24)13-9-19-22-14(8-15(23)20-16(13)22)12-2-5-18-6-3-12/h8-9,11-12,18H,2-7,10H2,1H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(3R)-3-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 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpyrrolidine-1-carbonyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).