7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine

C22H27N7 — CID 155161041

IUPAC7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(C4CCNCC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C22H27N7/c1-12(2)18-19(16-10-29-22(25-11-26-29)14(4)13(16)3)27-17-9-24-21(28-20(17)18)15-5-7-23-8-6-15/h9-12,15,23,27H,5-8H2,1-4H3
InChIKeyPAURLDNAVJSKDD-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.87
Rot. Bonds3

About 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155161041) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155161041
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(C4CCNCC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C22H27N7/c1-12(2)18-19(16-10-29-22(25-11-26-29)14(4)13(16)3)27-17-9-24-21(28-20(17)18)15-5-7-23-8-6-15/h9-12,15,23,27H,5-8H2,1-4H3
InChIKeyPAURLDNAVJSKDD-UHFFFAOYSA-N
XLogP3.87
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

1-[4-[6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 154641049
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265
6-[5-(3,5-dimethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686960
6-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686249
7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138725736
N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine
CID 138686272
6-[5-[(2S)-2-ethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138687023
N-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]thiolan-3-amine
CID 155226031
6-[5-[(2S,5S)-2,5-dimethyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686504
7,8-dimethyl-6-[3-propan-2-yl-5-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138725704
6-[5-[(2R,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138725734
6-[5-(4,7-diazaspiro[2.5]octan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686353

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 155161041) is 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3cnc(C4CCNCC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PAURLDNAVJSKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-12(2)18-19(16-10-29-22(25-11-26-29)14(4)13(16)3)27-17-9-24-21(28-20(17)18)15-5-7-23-8-6-15/h9-12,15,23,27H,5-8H2,1-4H3.
What are the key properties of 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 389.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155161041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).