4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine

C26H34ClN9O2 — CID 154699429

IUPAC4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C5=NC(N)(C(C)(C)C)N=C(N)N5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H34ClN9O2/c1-25(2,3)26(29)32-23(28)31-24(33-26)35-10-8-34(9-11-35)16-6-7-36-15-19(30-22(36)12-16)17-13-18(27)21(38-5)14-20(17)37-4/h6-7,12-15H,8-11,29H2,1-5H3,(H3,28,31,32,33)
InChIKeyMMNIPHSOQWJTMW-UHFFFAOYSA-N
MW540.07 g/mol
LogP2.73
Rot. Bonds4

About 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine

4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 154699429) has the molecular formula C26H34ClN9O2 and a molecular weight of 540.07 g/mol. Its IUPAC name is 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine
PubChem CID154699429
Molecular FormulaC26H34ClN9O2
Molecular Weight540.07 g/mol
Exact Mass539.25
IUPAC Name4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(C5=NC(N)(C(C)(C)C)N=C(N)N5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H34ClN9O2/c1-25(2,3)26(29)32-23(28)31-24(33-26)35-10-8-34(9-11-35)16-6-7-36-15-19(30-22(36)12-16)17-13-18(27)21(38-5)14-20(17)37-4/h6-7,12-15H,8-11,29H2,1-5H3,(H3,28,31,32,33)
InChIKeyMMNIPHSOQWJTMW-UHFFFAOYSA-N
XLogP2.73
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.07
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine (CID 154699429) is 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine is COc1cc(OC)c(-c2cn3ccc(N4CCN(C5=NC(N)(C(C)(C)C)N=C(N)N5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is MMNIPHSOQWJTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN9O2/c1-25(2,3)26(29)32-23(28)31-24(33-26)35-10-8-34(9-11-35)16-6-7-36-15-19(30-22(36)12-16)17-13-18(27)21(38-5)14-20(17)37-4/h6-7,12-15H,8-11,29H2,1-5H3,(H3,28,31,32,33).
What are the key properties of 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine?
4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 540.07 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154699429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).