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

C17H23N5O2 — CID 137018364

IUPACN-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NC1CCC1
InChIInChI=1S/C17H23N5O2/c1-10-15(17(24)19-12-3-2-4-12)16-20-14(23)9-13(22(16)21-10)11-5-7-18-8-6-11/h9,11-12,18H,2-8H2,1H3,(H,19,24)(H,20,23)
InChIKeyGWHVFANZUJOUFF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.08
Rot. Bonds3

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

N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018364) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018364
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NC1CCC1
InChIInChI=1S/C17H23N5O2/c1-10-15(17(24)19-12-3-2-4-12)16-20-14(23)9-13(22(16)21-10)11-5-7-18-8-6-11/h9,11-12,18H,2-8H2,1H3,(H,19,24)(H,20,23)
InChIKeyGWHVFANZUJOUFF-UHFFFAOYSA-N
XLogP1.08
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 429
CID 137018588
US10118930, Example 464
CID 137018756
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316
US10118930, Example 91
CID 137018337
US10118930, Example 419
CID 137018361
US10118930, Example 420
CID 137018362
US10118930, Example 421
CID 137018363
US10118930, Example 432
CID 137018384
US10118930, Example 434
CID 137018387
US10118930, Example 319
CID 137018405
US10118930, Example 401
CID 137018408

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018364) is N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GWHVFANZUJOUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-15(17(24)19-12-3-2-4-12)16-20-14(23)9-13(22(16)21-10)11-5-7-18-8-6-11/h9,11-12,18H,2-8H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).