6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine

C23H21ClN4O2 — CID 7338074

IUPAC6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H21ClN4O2/c1-27(2)18-7-3-15(4-8-18)22-23(28-14-16(24)5-10-21(28)26-22)25-17-6-9-19-20(13-17)30-12-11-29-19/h3-10,13-14,25H,11-12H2,1-2H3
InChIKeyUCDDPDKEBIXRCF-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.24
Rot. Bonds4

About 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338074) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID7338074
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C23H21ClN4O2/c1-27(2)18-7-3-15(4-8-18)22-23(28-14-16(24)5-10-21(28)26-22)25-17-6-9-19-20(13-17)30-12-11-29-19/h3-10,13-14,25H,11-12H2,1-2H3
InChIKeyUCDDPDKEBIXRCF-UHFFFAOYSA-N
XLogP5.24
TPSA51.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[4-[4-(2-Amino-4-pyridinyl)butoxy]-3-methoxyphenyl]-1-benzyl-3-[3-(5-methylimidazol-1-yl)propyl]urea
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7-(5,6-Dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 76311133
2-(2,3-Dihydrobenzo(b)(1,4)dioxin-6-yl)-6-methylimidazo(1,2-a)pyridine
CID 2813456
6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3201357
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CID 4326877
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 4620907
4-[3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 7106793
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-amine
CID 7338037
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]-7-methylimidazo[1,2-a]pyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 7338074) is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine is CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is UCDDPDKEBIXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-27(2)18-7-3-15(4-8-18)22-23(28-14-16(24)5-10-21(28)26-22)25-17-6-9-19-20(13-17)30-12-11-29-19/h3-10,13-14,25H,11-12H2,1-2H3.
What are the key properties of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 420.90 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).