7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C28H35N7O — CID 138725726

IUPAC7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4C[C@H]5C[C@@H]4CN5C4CCOCC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H35N7O/c1-16(2)25-26(22-14-35-28(29-15-30-35)18(4)17(22)3)31-23-5-6-24(32-27(23)25)34-13-20-11-21(34)12-33(20)19-7-9-36-10-8-19/h5-6,14-16,19-21,31H,7-13H2,1-4H3/t20-,21-/m1/s1
InChIKeyMXINYDAFIURRKQ-NHCUHLMSSA-N
MW485.64 g/mol
LogP4.45
Rot. Bonds4

About 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138725726) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138725726
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4C[C@H]5C[C@@H]4CN5C4CCOCC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H35N7O/c1-16(2)25-26(22-14-35-28(29-15-30-35)18(4)17(22)3)31-23-5-6-24(32-27(23)25)34-13-20-11-21(34)12-33(20)19-7-9-36-10-8-19/h5-6,14-16,19-21,31H,7-13H2,1-4H3/t20-,21-/m1/s1
InChIKeyMXINYDAFIURRKQ-NHCUHLMSSA-N
XLogP4.45
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-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 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-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 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138725726) is 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-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 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-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 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3ccc(N4C[C@H]5C[C@@H]4CN5C4CCOCC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MXINYDAFIURRKQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C28H35N7O/c1-16(2)25-26(22-14-35-28(29-15-30-35)18(4)17(22)3)31-23-5-6-24(32-27(23)25)34-13-20-11-21(34)12-33(20)19-7-9-36-10-8-19/h5-6,14-16,19-21,31H,7-13H2,1-4H3/t20-,21-/m1/s1.
What are the key properties of 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-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 485.64 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-[5-[(1R,4R)-5-(oxan-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-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 138725726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).