7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C29H35N5O — CID 137472586

IUPAC7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(C4C[C@H]5CC[C@@H](C4)N5C4COC4)cc3c2C(C)C)cn2cnnc2c1C
InChIInChI=1S/C29H35N5O/c1-16(2)27-24-11-19(20-9-21-6-7-22(10-20)34(21)23-13-35-14-23)5-8-26(24)31-28(27)25-12-33-15-30-32-29(33)18(4)17(25)3/h5,8,11-12,15-16,20-23,31H,6-7,9-10,13-14H2,1-4H3/t20?,21-,22+
InChIKeyFMESRRSSSJJDIV-FRIKZZABSA-N
MW469.63 g/mol
LogP5.73
Rot. Bonds4

About 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 137472586) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID137472586
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(C4C[C@H]5CC[C@@H](C4)N5C4COC4)cc3c2C(C)C)cn2cnnc2c1C
InChIInChI=1S/C29H35N5O/c1-16(2)27-24-11-19(20-9-21-6-7-22(10-20)34(21)23-13-35-14-23)5-8-26(24)31-28(27)25-12-33-15-30-32-29(33)18(4)17(25)3/h5,8,11-12,15-16,20-23,31H,6-7,9-10,13-14H2,1-4H3/t20?,21-,22+
InChIKeyFMESRRSSSJJDIV-FRIKZZABSA-N
XLogP5.73
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-[5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 137472581
6-[5-[1-(isocyanomethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 155642634
6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 167082328
2-[3-[2-(7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
CID 154639571
2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
CID 154639518
2-[4-[2-(8-chloro-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetonitrile
CID 137464085
8-chloro-7-methyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137464195
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655
3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine
CID 154639415
8-methyl-6-[5-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 167082320
6-[5-(azetidin-3-yl)-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154639610
6-methyl-4-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170760436

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 137472586) is 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(-c2[nH]c3ccc(C4C[C@H]5CC[C@@H](C4)N5C4COC4)cc3c2C(C)C)cn2cnnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FMESRRSSSJJDIV-FRIKZZABSA-N. The full InChI is InChI=1S/C29H35N5O/c1-16(2)27-24-11-19(20-9-21-6-7-22(10-20)34(21)23-13-35-14-23)5-8-26(24)31-28(27)25-12-33-15-30-32-29(33)18(4)17(25)3/h5,8,11-12,15-16,20-23,31H,6-7,9-10,13-14H2,1-4H3/t20?,21-,22+.
What are the key properties of 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 469.63 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 137472586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).