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

C18H27N5O2 — CID 137018384

IUPACN-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C18H27N5O2/c1-4-10-22(5-2)18(25)16-12(3)21-23-14(11-15(24)20-17(16)23)13-6-8-19-9-7-13/h11,13,19H,4-10H2,1-3H3,(H,20,24)
InChIKeyOLOGFXMXWNZBSJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.67
Rot. Bonds5

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

N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018384) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018384
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CC)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C18H27N5O2/c1-4-10-22(5-2)18(25)16-12(3)21-23-14(11-15(24)20-17(16)23)13-6-8-19-9-7-13/h11,13,19H,4-10H2,1-3H3,(H,20,24)
InChIKeyOLOGFXMXWNZBSJ-UHFFFAOYSA-N
XLogP1.67
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 367
CID 137018439
US10118930, Example 24
CID 137018454
US10118930, Example 461
CID 137018487
US10118930, Example 429
CID 137018588
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636
US10118930, Example 459
CID 137018703
US10118930, Example 464
CID 137018756
US10118930, Example 99
CID 137018285
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316
US10118930, Example 19
CID 137018318

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018384) is N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CC)C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OLOGFXMXWNZBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-10-22(5-2)18(25)16-12(3)21-23-14(11-15(24)20-17(16)23)13-6-8-19-9-7-13/h11,13,19H,4-10H2,1-3H3,(H,20,24).
What are the key properties of N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-N-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).