5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine

C17H16ClFN6 — CID 163221163

IUPAC5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
SMILESCNc1cn2cc(-c3c(Cl)c(F)c(N(C)C)c4[nH]ncc34)ccc2n1
InChIInChI=1S/C17H16ClFN6/c1-20-11-8-25-7-9(4-5-12(25)22-11)13-10-6-21-23-16(10)17(24(2)3)15(19)14(13)18/h4-8,20H,1-3H3,(H,21,23)
InChIKeyVPVSZDVQPFXGSK-UHFFFAOYSA-N
MW358.81 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine

5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine (PubChem CID 163221163) has the molecular formula C17H16ClFN6 and a molecular weight of 358.81 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
PubChem CID163221163
Molecular FormulaC17H16ClFN6
Molecular Weight358.81 g/mol
Exact Mass358.11
IUPAC Name5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine
SMILESCNc1cn2cc(-c3c(Cl)c(F)c(N(C)C)c4[nH]ncc34)ccc2n1
InChIInChI=1S/C17H16ClFN6/c1-20-11-8-25-7-9(4-5-12(25)22-11)13-10-6-21-23-16(10)17(24(2)3)15(19)14(13)18/h4-8,20H,1-3H3,(H,21,23)
InChIKeyVPVSZDVQPFXGSK-UHFFFAOYSA-N
XLogP3.78
TPSA61.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine?
The IUPAC name of 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine (CID 163221163) is 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine.
What is the SMILES notation for 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine?
The canonical SMILES for 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine is CNc1cn2cc(-c3c(Cl)c(F)c(N(C)C)c4[nH]ncc34)ccc2n1.
What is the InChIKey of 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine?
The InChIKey is VPVSZDVQPFXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN6/c1-20-11-8-25-7-9(4-5-12(25)22-11)13-10-6-21-23-16(10)17(24(2)3)15(19)14(13)18/h4-8,20H,1-3H3,(H,21,23).
What are the key properties of 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine?
5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine has a molecular weight of 358.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N,N-dimethyl-4-[2-(methylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indazol-7-amine is sourced from PubChem (CID 163221163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).