6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C28H36FN7O — CID 155226054

IUPAC6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(N4CCN(C5CCOCC5)CC4C)c(F)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36FN7O/c1-16(2)23-24-22(33-26(23)21-14-36-27(31-15-32-36)19(5)18(21)4)12-30-28(25(24)29)35-9-8-34(13-17(35)3)20-6-10-37-11-7-20/h12,14-17,20,33H,6-11,13H2,1-5H3
InChIKeyDSVSQYPDZFAFFX-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.84
Rot. Bonds4

About 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155226054) has the molecular formula C28H36FN7O and a molecular weight of 505.64 g/mol. Its IUPAC name is 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155226054
Molecular FormulaC28H36FN7O
Molecular Weight505.64 g/mol
Exact Mass505.30
IUPAC Name6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(N4CCN(C5CCOCC5)CC4C)c(F)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36FN7O/c1-16(2)23-24-22(33-26(23)21-14-36-27(31-15-32-36)19(5)18(21)4)12-30-28(25(24)29)35-9-8-34(13-17(35)3)20-6-10-37-11-7-20/h12,14-17,20,33H,6-11,13H2,1-5H3
InChIKeyDSVSQYPDZFAFFX-UHFFFAOYSA-N
XLogP4.84
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]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-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 155226054) is 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3cnc(N4CCN(C5CCOCC5)CC4C)c(F)c3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DSVSQYPDZFAFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN7O/c1-16(2)23-24-22(33-26(23)21-14-36-27(31-15-32-36)19(5)18(21)4)12-30-28(25(24)29)35-9-8-34(13-17(35)3)20-6-10-37-11-7-20/h12,14-17,20,33H,6-11,13H2,1-5H3.
What are the key properties of 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 505.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155226054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).