7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine

C20H23N9 — CID 70767539

IUPAC7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESCC(C)c1nnc2n1CCN(c1nc(-c3ccncc3)nc3c1cnn3C)CC2
InChIInChI=1S/C20H23N9/c1-13(2)18-26-25-16-6-9-28(10-11-29(16)18)20-15-12-22-27(3)19(15)23-17(24-20)14-4-7-21-8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
InChIKeyIIVNDXDISAXZAP-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.20
Rot. Bonds3

About 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine

7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine (PubChem CID 70767539) has the molecular formula C20H23N9 and a molecular weight of 389.47 g/mol. Its IUPAC name is 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine.

Molecular Properties

Compound Name7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
PubChem CID70767539
Molecular FormulaC20H23N9
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
SMILESCC(C)c1nnc2n1CCN(c1nc(-c3ccncc3)nc3c1cnn3C)CC2
InChIInChI=1S/C20H23N9/c1-13(2)18-26-25-16-6-9-28(10-11-29(16)18)20-15-12-22-27(3)19(15)23-17(24-20)14-4-7-21-8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
InChIKeyIIVNDXDISAXZAP-UHFFFAOYSA-N
XLogP2.20
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine with MolForge

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
4-[(1E)-{2-[1-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 90759135
5,8-Dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71151969
5,8-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153264
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905148
4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]pyridine
CID 91226622
4-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyridine
CID 91321549

Frequently Asked Questions

What is the IUPAC name of 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The IUPAC name of 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine (CID 70767539) is 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine.
What is the SMILES notation for 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The canonical SMILES for 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine is CC(C)c1nnc2n1CCN(c1nc(-c3ccncc3)nc3c1cnn3C)CC2.
What is the InChIKey of 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
The InChIKey is IIVNDXDISAXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9/c1-13(2)18-26-25-16-6-9-28(10-11-29(16)18)20-15-12-22-27(3)19(15)23-17(24-20)14-4-7-21-8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3.
What are the key properties of 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine?
7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine has a molecular weight of 389.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine is sourced from PubChem (CID 70767539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).