5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine

C15H18N6 — CID 72838613

IUPAC5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCc4nc[nH]c4C3)c2n1
InChIInChI=1S/C15H18N6/c1-10-5-11(2)21-15(19-10)12(6-18-21)7-20-4-3-13-14(8-20)17-9-16-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeySXEDSCWWRGBDSO-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.63
Rot. Bonds2

About 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 72838613) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID72838613
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCc4nc[nH]c4C3)c2n1
InChIInChI=1S/C15H18N6/c1-10-5-11(2)21-15(19-10)12(6-18-21)7-20-4-3-13-14(8-20)17-9-16-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeySXEDSCWWRGBDSO-UHFFFAOYSA-N
XLogP1.63
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine (CID 72838613) is 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCc4nc[nH]c4C3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SXEDSCWWRGBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-10-5-11(2)21-15(19-10)12(6-18-21)7-20-4-3-13-14(8-20)17-9-16-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 282.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 72838613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).