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

C24H28F3N7O — CID 138686584

IUPAC8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CCC(F)(F)F)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H28F3N7O/c1-15(2)20-21(16-12-18(35-3)23-28-14-29-34(23)13-16)30-17-4-5-19(31-22(17)20)33-10-8-32(9-11-33)7-6-24(25,26)27/h4-5,12-15,30H,6-11H2,1-3H3
InChIKeyBOBFLWDETIRPAR-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.48
Rot. Bonds6

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

8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686584) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686584
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Name8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CCC(F)(F)F)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H28F3N7O/c1-15(2)20-21(16-12-18(35-3)23-28-14-29-34(23)13-16)30-17-4-5-19(31-22(17)20)33-10-8-32(9-11-33)7-6-24(25,26)27/h4-5,12-15,30H,6-11H2,1-3H3
InChIKeyBOBFLWDETIRPAR-UHFFFAOYSA-N
XLogP4.48
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686584) is 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-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-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(N4CCN(CCC(F)(F)F)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BOBFLWDETIRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-15(2)20-21(16-12-18(35-3)23-28-14-29-34(23)13-16)30-17-4-5-19(31-22(17)20)33-10-8-32(9-11-33)7-6-24(25,26)27/h4-5,12-15,30H,6-11H2,1-3H3.
What are the key properties of 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 487.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[3-propan-2-yl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).