1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C26H24N10O2 — CID 70218680

IUPAC1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)c3nn[nH]n3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C26H24N10O2/c1-15(37)21-22(17-9-11-35(12-10-17)26(38)24-31-33-34-32-24)30-25-19(14-29-36(25)23(21)27)18-7-8-20(28-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,27H2,1H3,(H,31,32,33,34)
InChIKeyNDHPHKMHJSVMOE-UHFFFAOYSA-N
MW508.55 g/mol
LogP2.78
Rot. Bonds5

About 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 70218680) has the molecular formula C26H24N10O2 and a molecular weight of 508.55 g/mol. Its IUPAC name is 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID70218680
Molecular FormulaC26H24N10O2
Molecular Weight508.55 g/mol
Exact Mass508.21
IUPAC Name1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)c3nn[nH]n3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C26H24N10O2/c1-15(37)21-22(17-9-11-35(12-10-17)26(38)24-31-33-34-32-24)30-25-19(14-29-36(25)23(21)27)18-7-8-20(28-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,27H2,1H3,(H,31,32,33,34)
InChIKeyNDHPHKMHJSVMOE-UHFFFAOYSA-N
XLogP2.78
TPSA160.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 70218680) is 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)c3nn[nH]n3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is NDHPHKMHJSVMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O2/c1-15(37)21-22(17-9-11-35(12-10-17)26(38)24-31-33-34-32-24)30-25-19(14-29-36(25)23(21)27)18-7-8-20(28-13-18)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,27H2,1H3,(H,31,32,33,34).
What are the key properties of 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 508.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).