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

C18H25N5O2 — CID 137018552

IUPACN-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C18H25N5O2/c24-16-9-15(13-5-7-19-8-6-13)23-17(22-16)14(11-21-23)18(25)20-10-12-3-1-2-4-12/h9,11-13,19H,1-8,10H2,(H,20,25)(H,22,24)
InChIKeyHLKXRAPOEKHNAM-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.41
Rot. Bonds4

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

N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018552) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018552
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C18H25N5O2/c24-16-9-15(13-5-7-19-8-6-13)23-17(22-16)14(11-21-23)18(25)20-10-12-3-1-2-4-12/h9,11-13,19H,1-8,10H2,(H,20,25)(H,22,24)
InChIKeyHLKXRAPOEKHNAM-UHFFFAOYSA-N
XLogP1.41
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US10118930, Example 452
CID 137018609
US10118930, Example 453
CID 137018757
6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
6-(cyclopent-2-en-1-ylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135732721
US10118930, Example 101
CID 137018280
US10118930, Example 352
CID 137018395
US10118930, Example 103
CID 137018571
US10118930, Example 326
CID 137018650
US10118930, Example 362
CID 137018668
2-[4-(6-Azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049255
2-[4-(4-Cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049270
2-[4-[4-(2,2,2-Trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049273

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018552) is N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC1CCCC1)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HLKXRAPOEKHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-16-9-15(13-5-7-19-8-6-13)23-17(22-16)14(11-21-23)18(25)20-10-12-3-1-2-4-12/h9,11-13,19H,1-8,10H2,(H,20,25)(H,22,24).
What are the key properties of N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).