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

C20H29N5O2 — CID 137018387

IUPAC3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C20H29N5O2/c1-13-17(19(27)24-10-6-20(2,3)7-11-24)18-22-16(26)12-15(25(18)23-13)14-4-8-21-9-5-14/h12,14,21H,4-11H2,1-3H3,(H,22,26)
InChIKeyZCYGPLZRHAGLQO-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.06
Rot. Bonds2

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

3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018387) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018387
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C20H29N5O2/c1-13-17(19(27)24-10-6-20(2,3)7-11-24)18-22-16(26)12-15(25(18)23-13)14-4-8-21-9-5-14/h12,14,21H,4-11H2,1-3H3,(H,22,26)
InChIKeyZCYGPLZRHAGLQO-UHFFFAOYSA-N
XLogP2.06
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 429
CID 137018588
US10118930, Example 98
CID 137018284
US10118930, Example 317
CID 137018316
US10118930, Example 419
CID 137018361
US10118930, Example 420
CID 137018362
US10118930, Example 421
CID 137018363
US10118930, Example 422
CID 137018364
US10118930, Example 432
CID 137018384
US10118930, Example 319
CID 137018405
US10118930, Example 401
CID 137018408
US10118930, Example 397
CID 137018410
US10118930, Example 398
CID 137018411

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018387) is 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(4,4-dimethylpiperidine-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(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ZCYGPLZRHAGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-17(19(27)24-10-6-20(2,3)7-11-24)18-22-16(26)12-15(25(18)23-13)14-4-8-21-9-5-14/h12,14,21H,4-11H2,1-3H3,(H,22,26).
What are the key properties of 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 371.49 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidine-1-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).