(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C19H17N7O — CID 163308528

IUPAC(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1ncc2ncc(C(=O)N3CCc4[nH]cnc4C3c3ccncc3)cc21
InChIInChI=1S/C19H17N7O/c1-25-16-8-13(9-21-15(16)10-24-25)19(27)26-7-4-14-17(23-11-22-14)18(26)12-2-5-20-6-3-12/h2-3,5-6,8-11,18H,4,7H2,1H3,(H,22,23)
InChIKeyIZYILVSAIUCJOZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.87
Rot. Bonds2

About (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 163308528) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID163308528
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1ncc2ncc(C(=O)N3CCc4[nH]cnc4C3c3ccncc3)cc21
InChIInChI=1S/C19H17N7O/c1-25-16-8-13(9-21-15(16)10-24-25)19(27)26-7-4-14-17(23-11-22-14)18(26)12-2-5-20-6-3-12/h2-3,5-6,8-11,18H,4,7H2,1H3,(H,22,23)
InChIKeyIZYILVSAIUCJOZ-UHFFFAOYSA-N
XLogP1.87
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 163308528) is (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cn1ncc2ncc(C(=O)N3CCc4[nH]cnc4C3c3ccncc3)cc21.
What is the InChIKey of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is IZYILVSAIUCJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-25-16-8-13(9-21-15(16)10-24-25)19(27)26-7-4-14-17(23-11-22-14)18(26)12-2-5-20-6-3-12/h2-3,5-6,8-11,18H,4,7H2,1H3,(H,22,23).
What are the key properties of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 359.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 163308528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).