N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine

C19H16Cl2FN5O — CID 146288700

IUPACN-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
SMILESCCOCn1ccc(-n2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)n1
InChIInChI=1S/C19H16Cl2FN5O/c1-2-28-11-26-7-5-17(25-26)27-8-4-13-16(27)3-6-23-19(13)24-18-14(20)9-12(22)10-15(18)21/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyXICCMMFOXMROET-UHFFFAOYSA-N
MW420.28 g/mol
LogP5.41
Rot. Bonds6

About N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine

N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 146288700) has the molecular formula C19H16Cl2FN5O and a molecular weight of 420.28 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
PubChem CID146288700
Molecular FormulaC19H16Cl2FN5O
Molecular Weight420.28 g/mol
Exact Mass419.07
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
SMILESCCOCn1ccc(-n2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)n1
InChIInChI=1S/C19H16Cl2FN5O/c1-2-28-11-26-7-5-17(25-26)27-8-4-13-16(27)3-6-23-19(13)24-18-14(20)9-12(22)10-15(18)21/h3-10H,2,11H2,1H3,(H,23,24)
InChIKeyXICCMMFOXMROET-UHFFFAOYSA-N
XLogP5.41
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.28
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine (CID 146288700) is N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine is CCOCn1ccc(-n2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)n1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is XICCMMFOXMROET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O/c1-2-28-11-26-7-5-17(25-26)27-8-4-13-16(27)3-6-23-19(13)24-18-14(20)9-12(22)10-15(18)21/h3-10H,2,11H2,1H3,(H,23,24).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine?
N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 420.28 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-1-[1-(ethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 146288700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).