(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C13H11ClN8O — CID 24811714

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2nn[nH]n2)CC1
InChIInChI=1S/C13H11ClN8O/c14-9-6-15-11-5-10(18-22(11)7-9)13(23)21-3-1-8(2-4-21)12-16-19-20-17-12/h1,5-7H,2-4H2,(H,16,17,19,20)
InChIKeyUSZWUUIAQJJITK-UHFFFAOYSA-N
MW330.74 g/mol
LogP0.83
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 24811714) has the molecular formula C13H11ClN8O and a molecular weight of 330.74 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID24811714
Molecular FormulaC13H11ClN8O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2nn[nH]n2)CC1
InChIInChI=1S/C13H11ClN8O/c14-9-6-15-11-5-10(18-22(11)7-9)13(23)21-3-1-8(2-4-21)12-16-19-20-17-12/h1,5-7H,2-4H2,(H,16,17,19,20)
InChIKeyUSZWUUIAQJJITK-UHFFFAOYSA-N
XLogP0.83
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 24811714) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2nn[nH]n2)CC1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is USZWUUIAQJJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN8O/c14-9-6-15-11-5-10(18-22(11)7-9)13(23)21-3-1-8(2-4-21)12-16-19-20-17-12/h1,5-7H,2-4H2,(H,16,17,19,20).
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 330.74 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 24811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).