tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate

C25H31N7O2 — CID 139410980

IUPACtert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21
InChIInChI=1S/C25H31N7O2/c1-25(2,3)34-24(33)27-10-13-31-12-9-19-7-8-21(28-23(19)31)29-15-17-30(18-16-29)22-6-4-5-20-26-11-14-32(20)22/h4-9,11-12,14H,10,13,15-18H2,1-3H3,(H,27,33)
InChIKeyKSNGUSMBCNPQOT-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.54
Rot. Bonds5

About tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate

tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate (PubChem CID 139410980) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate
PubChem CID139410980
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Nametert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21
InChIInChI=1S/C25H31N7O2/c1-25(2,3)34-24(33)27-10-13-31-12-9-19-7-8-21(28-23(19)31)29-15-17-30(18-16-29)22-6-4-5-20-26-11-14-32(20)22/h4-9,11-12,14H,10,13,15-18H2,1-3H3,(H,27,33)
InChIKeyKSNGUSMBCNPQOT-UHFFFAOYSA-N
XLogP3.54
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(4-methylphenyl)sulfanyloxyethyl]pyrrolo[2,3-b]pyridine
CID 139422109
7-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]-2-oxa-7-azaspiro[3.5]nonane
CID 139415704
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(3-nitro-3-phenylcyclobutyl)ethyl]pyrrolo[2,3-b]pyridine
CID 163509600
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 102626956
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide
CID 102625206
2-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-N-methylethanamine
CID 102626099
tert-butyl 2-amino-3-(imidazo[1,2-a]pyridin-5-ylamino)propanoate
CID 70358968
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-7-carboxylic acid
CID 70163739
tert-butyl N-[[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]carbamate
CID 176904972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate (CID 139410980) is tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21.
What is the InChIKey of tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate?
The InChIKey is KSNGUSMBCNPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-25(2,3)34-24(33)27-10-13-31-12-9-19-7-8-21(28-23(19)31)29-15-17-30(18-16-29)22-6-4-5-20-26-11-14-32(20)22/h4-9,11-12,14H,10,13,15-18H2,1-3H3,(H,27,33).
What are the key properties of tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate has a molecular weight of 461.57 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate is sourced from PubChem (CID 139410980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).