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

C17H21F2N5O2 — CID 137018588

IUPAC3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C17H21F2N5O2/c1-10-14(16(26)23-7-4-17(18,19)9-23)15-21-13(25)8-12(24(15)22-10)11-2-5-20-6-3-11/h8,11,20H,2-7,9H2,1H3,(H,21,25)
InChIKeyUKTQWECUJLYVRZ-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.28
Rot. Bonds2

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

3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018588) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018588
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Name3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C17H21F2N5O2/c1-10-14(16(26)23-7-4-17(18,19)9-23)15-21-13(25)8-12(24(15)22-10)11-2-5-20-6-3-11/h8,11,20H,2-7,9H2,1H3,(H,21,25)
InChIKeyUKTQWECUJLYVRZ-UHFFFAOYSA-N
XLogP1.28
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-Methyl-4-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049565
US10118930, Example 101
CID 137018280
US10118930, Example 458
CID 137018404
US10118930, Example 367
CID 137018439
US10118930, Example 24
CID 137018454
US10118930, Example 457
CID 137018477
US10118930, Example 461
CID 137018487
US10118930, Example 103
CID 137018571
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636
US10118930, Example 454
CID 137018702
US10118930, Example 459
CID 137018703

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018588) is 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UKTQWECUJLYVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-10-14(16(26)23-7-4-17(18,19)9-23)15-21-13(25)8-12(24(15)22-10)11-2-5-20-6-3-11/h8,11,20H,2-7,9H2,1H3,(H,21,25).
What are the key properties of 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 365.38 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).