N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H22N6O3 — CID 137018285

IUPACN-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CCC(N)=O)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H22N6O3/c1-21(7-4-13(17)23)16(25)11-9-19-22-12(8-14(24)20-15(11)22)10-2-5-18-6-3-10/h8-10,18H,2-7H2,1H3,(H2,17,23)(H,20,24)
InChIKeyGKAFVKBCWJGPDS-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.56
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018285) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018285
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CCC(N)=O)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H22N6O3/c1-21(7-4-13(17)23)16(25)11-9-19-22-12(8-14(24)20-15(11)22)10-2-5-18-6-3-10/h8-10,18H,2-7H2,1H3,(H2,17,23)(H,20,24)
InChIKeyGKAFVKBCWJGPDS-UHFFFAOYSA-N
XLogP-0.56
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide 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
4-Ethyl-1-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049297
6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 326
CID 137018650

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018285) is N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(CCC(N)=O)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GKAFVKBCWJGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-21(7-4-13(17)23)16(25)11-9-19-22-12(8-14(24)20-15(11)22)10-2-5-18-6-3-10/h8-10,18H,2-7H2,1H3,(H2,17,23)(H,20,24).
What are the key properties of N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).