tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate

C30H33N5O2 — CID 154640151

IUPACtert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate
SMILESCc1cc(-c2[nH]c3ccc(-c4cc(NC(=O)OC(C)(C)C)c5nccn5c4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H33N5O2/c1-17(2)26-23-14-20(8-9-24(23)33-27(26)21-12-18(3)32-19(4)13-21)22-15-25(28-31-10-11-35(28)16-22)34-29(36)37-30(5,6)7/h8-17,33H,1-7H3,(H,34,36)
InChIKeyHUEKARWPAKLAET-UHFFFAOYSA-N
MW495.63 g/mol
LogP7.63
Rot. Bonds4

About tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate

tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate (PubChem CID 154640151) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate
PubChem CID154640151
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Nametert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate
SMILESCc1cc(-c2[nH]c3ccc(-c4cc(NC(=O)OC(C)(C)C)c5nccn5c4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C30H33N5O2/c1-17(2)26-23-14-20(8-9-24(23)33-27(26)21-12-18(3)32-19(4)13-21)22-15-25(28-31-10-11-35(28)16-22)34-29(36)37-30(5,6)7/h8-17,33H,1-7H3,(H,34,36)
InChIKeyHUEKARWPAKLAET-UHFFFAOYSA-N
XLogP7.63
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate (CID 154640151) is tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate is Cc1cc(-c2[nH]c3ccc(-c4cc(NC(=O)OC(C)(C)C)c5nccn5c4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
The InChIKey is HUEKARWPAKLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-17(2)26-23-14-20(8-9-24(23)33-27(26)21-12-18(3)32-19(4)13-21)22-15-25(28-31-10-11-35(28)16-22)34-29(36)37-30(5,6)7/h8-17,33H,1-7H3,(H,34,36).
What are the key properties of tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate?
tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate has a molecular weight of 495.63 g/mol, XLogP of 7.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]imidazo[1,2-a]pyridin-8-yl]carbamate is sourced from PubChem (CID 154640151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).