6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile

C21H22N6 — CID 134402291

IUPAC6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2cc(CC(C)(C)c3[nH]nc4cccnc34)c(C#N)cc12
InChIInChI=1S/C21H22N6/c1-12(2)18-15-8-14(11-22)13(9-17(15)25-26-18)10-21(3,4)20-19-16(24-27-20)6-5-7-23-19/h5-9,12H,10H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyIGLDXCVYDXQJJI-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.35
Rot. Bonds4

About 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile

6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile (PubChem CID 134402291) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile.

Molecular Properties

Compound Name6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile
PubChem CID134402291
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2cc(CC(C)(C)c3[nH]nc4cccnc34)c(C#N)cc12
InChIInChI=1S/C21H22N6/c1-12(2)18-15-8-14(11-22)13(9-17(15)25-26-18)10-21(3,4)20-19-16(24-27-20)6-5-7-23-19/h5-9,12H,10H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyIGLDXCVYDXQJJI-UHFFFAOYSA-N
XLogP4.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile?
The IUPAC name of 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile (CID 134402291) is 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile.
What is the SMILES notation for 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile?
The canonical SMILES for 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile is CC(C)c1[nH]nc2cc(CC(C)(C)c3[nH]nc4cccnc34)c(C#N)cc12.
What is the InChIKey of 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile?
The InChIKey is IGLDXCVYDXQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-12(2)18-15-8-14(11-22)13(9-17(15)25-26-18)10-21(3,4)20-19-16(24-27-20)6-5-7-23-19/h5-9,12H,10H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile?
6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile is sourced from PubChem (CID 134402291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).