4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine

C22H28ClN5O2 — CID 57103017

IUPAC4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
SMILESCCc1cc(Cl)c2c(c1)CCN2c1nc(C)cc2c1nnn2[C@H](CCOC)COC
InChIInChI=1S/C22H28ClN5O2/c1-5-15-11-16-6-8-27(21(16)18(23)12-15)22-20-19(10-14(2)24-22)28(26-25-20)17(13-30-4)7-9-29-3/h10-12,17H,5-9,13H2,1-4H3/t17-/m1/s1
InChIKeyKFNCGOZZNXUVKZ-QGZVFWFLSA-N
MW429.95 g/mol
LogP4.27
Rot. Bonds8

About 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine

4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine (PubChem CID 57103017) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
PubChem CID57103017
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
SMILESCCc1cc(Cl)c2c(c1)CCN2c1nc(C)cc2c1nnn2[C@H](CCOC)COC
InChIInChI=1S/C22H28ClN5O2/c1-5-15-11-16-6-8-27(21(16)18(23)12-15)22-20-19(10-14(2)24-22)28(26-25-20)17(13-30-4)7-9-29-3/h10-12,17H,5-9,13H2,1-4H3/t17-/m1/s1
InChIKeyKFNCGOZZNXUVKZ-QGZVFWFLSA-N
XLogP4.27
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine with MolForge

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Related Compounds

7-chloro-1-[1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-2,3-dihydroindole-5-carbonitrile
CID 57194734
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
CID 70101713
8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70024309
8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 18629237
4-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 12050981
8-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70026941
6-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-8-methyl-3,4-dihydro-2H-quinoline
CID 70104506
4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
CID 18629214
5-bromo-4-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-7-methyl-2,3-dihydro-1,4-benzoxazine
CID 57265244
6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 70285979
CID 89383890
CID 89383890
4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
CID 20662565

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
The IUPAC name of 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine (CID 57103017) is 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine is CCc1cc(Cl)c2c(c1)CCN2c1nc(C)cc2c1nnn2[C@H](CCOC)COC.
What is the InChIKey of 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
The InChIKey is KFNCGOZZNXUVKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-5-15-11-16-6-8-27(21(16)18(23)12-15)22-20-19(10-14(2)24-22)28(26-25-20)17(13-30-4)7-9-29-3/h10-12,17H,5-9,13H2,1-4H3/t17-/m1/s1.
What are the key properties of 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine has a molecular weight of 429.95 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 57103017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).