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

C25H30N10O — CID 138686565

IUPAC8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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(Cc5cn(C)nn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H30N10O/c1-16(2)22-23(17-11-20(36-4)25-26-15-27-35(25)12-17)28-19-5-6-21(29-24(19)22)34-9-7-33(8-10-34)14-18-13-32(3)31-30-18/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3
InChIKeyWWPPKQDLCLBEAV-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.86
Rot. Bonds6

About 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686565) has the molecular formula C25H30N10O and a molecular weight of 486.58 g/mol. Its IUPAC name is 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686565
Molecular FormulaC25H30N10O
Molecular Weight486.58 g/mol
Exact Mass486.26
IUPAC Name8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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(Cc5cn(C)nn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H30N10O/c1-16(2)22-23(17-11-20(36-4)25-26-15-27-35(25)12-17)28-19-5-6-21(29-24(19)22)34-9-7-33(8-10-34)14-18-13-32(3)31-30-18/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3
InChIKeyWWPPKQDLCLBEAV-UHFFFAOYSA-N
XLogP2.86
TPSA105.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686565) is 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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-[(1-methyltriazol-4-yl)methyl]piperazin-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-[(1-methyltriazol-4-yl)methyl]piperazin-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(Cc5cn(C)nn5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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 WWPPKQDLCLBEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N10O/c1-16(2)22-23(17-11-20(36-4)25-26-15-27-35(25)12-17)28-19-5-6-21(29-24(19)22)34-9-7-33(8-10-34)14-18-13-32(3)31-30-18/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3.
What are the key properties of 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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-[(1-methyltriazol-4-yl)methyl]piperazin-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 486.58 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[4-[(1-methyltriazol-4-yl)methyl]piperazin-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 138686565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).