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

C19H26N6O3 — CID 137018284

IUPAC7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCC(=O)N1CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CC1
InChIInChI=1S/C19H26N6O3/c1-2-17(27)23-7-9-24(10-8-23)19(28)14-12-21-25-15(11-16(26)22-18(14)25)13-3-5-20-6-4-13/h11-13,20H,2-10H2,1H3,(H,22,26)
InChIKeyNTCLOERJWILOEI-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.18
Rot. Bonds3

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

7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018284) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018284
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCC(=O)N1CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CC1
InChIInChI=1S/C19H26N6O3/c1-2-17(27)23-7-9-24(10-8-23)19(28)14-12-21-25-15(11-16(26)22-18(14)25)13-3-5-20-6-4-13/h11-13,20H,2-10H2,1H3,(H,22,26)
InChIKeyNTCLOERJWILOEI-UHFFFAOYSA-N
XLogP0.18
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
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 83
CID 137018276
US10118930, Example 82
CID 137018277
US10118930, Example 100
CID 137018279
US10118930, Example 99
CID 137018285
US10118930, Example 37
CID 137018291

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018284) is 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCC(=O)N1CCN(C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CC1.
What is the InChIKey of 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NTCLOERJWILOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-2-17(27)23-7-9-24(10-8-23)19(28)14-12-21-25-15(11-16(26)22-18(14)25)13-3-5-20-6-4-13/h11-13,20H,2-10H2,1H3,(H,22,26).
What are the key properties of 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 386.46 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-(4-propanoylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).