8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C22H27N7O — CID 138686528

IUPAC8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H27N7O/c1-14(2)19-20(15-11-17(30-4)22-23-13-24-29(22)12-15)25-16-5-6-18(26-21(16)19)28-9-7-27(3)8-10-28/h5-6,11-14,25H,7-10H2,1-4H3
InChIKeyRNRDKJCARAWTPN-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.16
Rot. Bonds4

About 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686528) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686528
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H27N7O/c1-14(2)19-20(15-11-17(30-4)22-23-13-24-29(22)12-15)25-16-5-6-18(26-21(16)19)28-9-7-27(3)8-10-28/h5-6,11-14,25H,7-10H2,1-4H3
InChIKeyRNRDKJCARAWTPN-UHFFFAOYSA-N
XLogP3.16
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686528) is 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(N4CCN(C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RNRDKJCARAWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-14(2)19-20(15-11-17(30-4)22-23-13-24-29(22)12-15)25-16-5-6-18(26-21(16)19)28-9-7-27(3)8-10-28/h5-6,11-14,25H,7-10H2,1-4H3.
What are the key properties of 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 405.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-(4-methylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).