[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate

C25H34N4O2 — CID 1195049

IUPAC[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate
SMILESCc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)N(C)C)nc2c1
InChIInChI=1S/C25H34N4O2/c1-17-13-14-29-20(15-17)26-21(22(29)27-25(5,6)16-24(2,3)4)18-11-9-10-12-19(18)31-23(30)28(7)8/h9-15,27H,16H2,1-8H3
InChIKeyDHOMUJNUPDVUJB-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.00
Rot. Bonds5

About [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate

[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate (PubChem CID 1195049) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate
PubChem CID1195049
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate
SMILESCc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)N(C)C)nc2c1
InChIInChI=1S/C25H34N4O2/c1-17-13-14-29-20(15-17)26-21(22(29)27-25(5,6)16-24(2,3)4)18-11-9-10-12-19(18)31-23(30)28(7)8/h9-15,27H,16H2,1-8H3
InChIKeyDHOMUJNUPDVUJB-UHFFFAOYSA-N
XLogP6.00
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate (CID 1195049) is [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate is Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)N(C)C)nc2c1.
What is the InChIKey of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
The InChIKey is DHOMUJNUPDVUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-13-14-29-20(15-17)26-21(22(29)27-25(5,6)16-24(2,3)4)18-11-9-10-12-19(18)31-23(30)28(7)8/h9-15,27H,16H2,1-8H3.
What are the key properties of [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
[2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate has a molecular weight of 422.57 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 1195049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).