5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

C19H26ClN7O2 — CID 137251820

IUPAC5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCCCn1ccnc1CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C19H25N7O2.ClH/c1-2-8-25-9-7-21-16(25)12-22-19(28)14-11-23-26-15(10-17(27)24-18(14)26)13-3-5-20-6-4-13;/h7,9-11,13,20H,2-6,8,12H2,1H3,(H,22,28)(H,24,27);1H
InChIKeyJNQUNIFIHMZYGP-UHFFFAOYSA-N
MW419.92 g/mol
LogP1.45
Rot. Bonds6

About 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride

5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 137251820) has the molecular formula C19H26ClN7O2 and a molecular weight of 419.92 g/mol. Its IUPAC name is 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID137251820
Molecular FormulaC19H26ClN7O2
Molecular Weight419.92 g/mol
Exact Mass419.18
IUPAC Name5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCCCn1ccnc1CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C19H25N7O2.ClH/c1-2-8-25-9-7-21-16(25)12-22-19(28)14-11-23-26-15(10-17(27)24-18(14)26)13-3-5-20-6-4-13;/h7,9-11,13,20H,2-6,8,12H2,1H3,(H,22,28)(H,24,27);1H
InChIKeyJNQUNIFIHMZYGP-UHFFFAOYSA-N
XLogP1.45
TPSA109.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one
CID 126739404
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873900
7-(Methylamino)-5-[[5-methyl-1-(2-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449128
N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449156
7-(Methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449653
7-Amino-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449655
7-Amino-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449657
7-(Methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449890
US10118930, Example 107
CID 137018266
US10118930, Example 83
CID 137018276
US10118930, Example 212
CID 137018352
US10118930, Example 256
CID 137018391

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (CID 137251820) is 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is CCCn1ccnc1CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
What is the InChIKey of 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is JNQUNIFIHMZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2.ClH/c1-2-8-25-9-7-21-16(25)12-22-19(28)14-11-23-26-15(10-17(27)24-18(14)26)13-3-5-20-6-4-13;/h7,9-11,13,20H,2-6,8,12H2,1H3,(H,22,28)(H,24,27);1H.
What are the key properties of 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride?
5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 419.92 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 137251820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).