5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N7O3 — CID 137018276

IUPAC5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H23N7O3/c25-14-9-13(11-1-3-18-4-2-11)24-15(22-14)12(10-21-24)16(26)19-5-7-23-8-6-20-17(23)27/h9-11,18H,1-8H2,(H,19,26)(H,20,27)(H,22,25)
InChIKeyOCRZIQOIFLUBOO-UHFFFAOYSA-N
MW373.42 g/mol
LogP-0.76
Rot. Bonds5

About 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018276) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018276
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Name5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H23N7O3/c25-14-9-13(11-1-3-18-4-2-11)24-15(22-14)12(10-21-24)16(26)19-5-7-23-8-6-20-17(23)27/h9-11,18H,1-8H2,(H,19,26)(H,20,27)(H,22,25)
InChIKeyOCRZIQOIFLUBOO-UHFFFAOYSA-N
XLogP-0.76
TPSA123.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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
2-[4-(4-Cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049270
2-[4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049271
2-[4-[4-(2,2,2-Trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049273
2-[4-[4-(Trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137129857
US10118930, Example 51
CID 137018245
US10118930, Example 82
CID 137018277

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018276) is 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCN1CCNC1=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OCRZIQOIFLUBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c25-14-9-13(11-1-3-18-4-2-11)24-15(22-14)12(10-21-24)16(26)19-5-7-23-8-6-20-17(23)27/h9-11,18H,1-8H2,(H,19,26)(H,20,27)(H,22,25).
What are the key properties of 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).