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

C24H31N7 — CID 138686960

IUPAC6-[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
SMILESCc1c(-c2[nH]c3ccc(N4CC(C)NC(C)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C24H31N7/c1-13(2)21-22(18-11-31-24(25-12-26-31)17(6)16(18)5)28-19-7-8-20(29-23(19)21)30-9-14(3)27-15(4)10-30/h7-8,11-15,27-28H,9-10H2,1-6H3
InChIKeyMZGZSWPZZLAHTH-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.20
Rot. Bonds3

About 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

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 (PubChem CID 138686960) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID138686960
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name6-[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
SMILESCc1c(-c2[nH]c3ccc(N4CC(C)NC(C)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C24H31N7/c1-13(2)21-22(18-11-31-24(25-12-26-31)17(6)16(18)5)28-19-7-8-20(29-23(19)21)30-9-14(3)27-15(4)10-30/h7-8,11-15,27-28H,9-10H2,1-6H3
InChIKeyMZGZSWPZZLAHTH-UHFFFAOYSA-N
XLogP4.20
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2[nH]c3ccc(N4CC(C)NC(C)C4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 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?
The InChIKey is MZGZSWPZZLAHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-13(2)21-22(18-11-31-24(25-12-26-31)17(6)16(18)5)28-19-7-8-20(29-23(19)21)30-9-14(3)27-15(4)10-30/h7-8,11-15,27-28H,9-10H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 417.56 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).