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

C19H25N7O2 — CID 137251821

IUPAC5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCn1ccnc1CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C19H25N7O2/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)
InChIKeySBDNLCQWMPJPBT-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.03
Rot. Bonds6

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

5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137251821) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 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.

Molecular Properties

Compound Name5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137251821
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCn1ccnc1CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C19H25N7O2/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)
InChIKeySBDNLCQWMPJPBT-UHFFFAOYSA-N
XLogP1.03
TPSA109.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137251821) is 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
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?
The canonical SMILES for 5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCn1ccnc1CNC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
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?
The InChIKey is SBDNLCQWMPJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/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).
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?
5-oxo-7-piperidin-4-yl-N-[(1-propylimidazol-2-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.03, 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 is sourced from PubChem (CID 137251821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).