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

C18H25N5O2 — CID 137018415

IUPAC2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCCCC1
InChIInChI=1S/C18H25N5O2/c1-12-16(18(25)22-9-3-2-4-10-22)17-20-15(24)11-14(23(17)21-12)13-5-7-19-8-6-13/h11,13,19H,2-10H2,1H3,(H,20,24)
InChIKeyJLWYOHNPYWGYEX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.42
Rot. Bonds2

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

2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018415) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018415
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCCCC1
InChIInChI=1S/C18H25N5O2/c1-12-16(18(25)22-9-3-2-4-10-22)17-20-15(24)11-14(23(17)21-12)13-5-7-19-8-6-13/h11,13,19H,2-10H2,1H3,(H,20,24)
InChIKeyJLWYOHNPYWGYEX-UHFFFAOYSA-N
XLogP1.42
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 429
CID 137018588
US10118930, Example 464
CID 137018756
US10118930, Example 98
CID 137018284
US10118930, Example 99
CID 137018285
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316
US10118930, Example 96
CID 137018343
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018415) is 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JLWYOHNPYWGYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-16(18(25)22-9-3-2-4-10-22)17-20-15(24)11-14(23(17)21-12)13-5-7-19-8-6-13/h11,13,19H,2-10H2,1H3,(H,20,24).
What are the key properties of 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 343.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).