6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C24H29N7 — CID 138686517

IUPAC6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4C[C@H]5CC[C@@H]4CN5)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C24H29N7/c1-13(2)21-22(18-11-31-24(26-12-27-31)15(4)14(18)3)28-19-7-8-20(29-23(19)21)30-10-16-5-6-17(30)9-25-16/h7-8,11-13,16-17,25,28H,5-6,9-10H2,1-4H3/t16-,17-/m1/s1
InChIKeyAKCAKVOLMFDULA-IAGOWNOFSA-N
MW415.55 g/mol
LogP3.95
Rot. Bonds3

About 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686517) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686517
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4C[C@H]5CC[C@@H]4CN5)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C24H29N7/c1-13(2)21-22(18-11-31-24(26-12-27-31)15(4)14(18)3)28-19-7-8-20(29-23(19)21)30-10-16-5-6-17(30)9-25-16/h7-8,11-13,16-17,25,28H,5-6,9-10H2,1-4H3/t16-,17-/m1/s1
InChIKeyAKCAKVOLMFDULA-IAGOWNOFSA-N
XLogP3.95
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]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-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 138686517) is 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3ccc(N4C[C@H]5CC[C@@H]4CN5)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AKCAKVOLMFDULA-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H29N7/c1-13(2)21-22(18-11-31-24(26-12-27-31)15(4)14(18)3)28-19-7-8-20(29-23(19)21)30-10-16-5-6-17(30)9-25-16/h7-8,11-13,16-17,25,28H,5-6,9-10H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 415.55 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).