4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide

C22H29N5O2 — CID 118165651

IUPAC4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-17-16-21-26(12-5-13-27(21)24-17)22(29)9-8-20(28)23-18-10-14-25(15-11-18)19-6-3-2-4-7-19/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,23,28)
InChIKeyZRLGNVQLDUMIRX-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.49
Rot. Bonds5

About 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide (PubChem CID 118165651) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide
PubChem CID118165651
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-17-16-21-26(12-5-13-27(21)24-17)22(29)9-8-20(28)23-18-10-14-25(15-11-18)19-6-3-2-4-7-19/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,23,28)
InChIKeyZRLGNVQLDUMIRX-UHFFFAOYSA-N
XLogP2.49
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397
N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165652
5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 159946101
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 20929185
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(2-methyl-4-phenylphenyl)pentane-1,4-dione
CID 153157588
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
CID 118165449
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 60566295

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide (CID 118165651) is 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide?
The InChIKey is ZRLGNVQLDUMIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17-16-21-26(12-5-13-27(21)24-17)22(29)9-8-20(28)23-18-10-14-25(15-11-18)19-6-3-2-4-7-19/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,23,28).
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide?
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide has a molecular weight of 395.51 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide is sourced from PubChem (CID 118165651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).