N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine

C19H16F3N5O — CID 66548650

IUPACN-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1ccccc1Nc1cc2[nH]c(-c3cnn(CC(F)(F)F)c3)cc2cn1
InChIInChI=1S/C19H16F3N5O/c1-28-17-5-3-2-4-14(17)26-18-7-16-12(8-23-18)6-15(25-16)13-9-24-27(10-13)11-19(20,21)22/h2-10,25H,11H2,1H3,(H,23,26)
InChIKeyXVXDUWJDAATNHT-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.74
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine

N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66548650) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID66548650
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1ccccc1Nc1cc2[nH]c(-c3cnn(CC(F)(F)F)c3)cc2cn1
InChIInChI=1S/C19H16F3N5O/c1-28-17-5-3-2-4-14(17)26-18-7-16-12(8-23-18)6-15(25-16)13-9-24-27(10-13)11-19(20,21)22/h2-10,25H,11H2,1H3,(H,23,26)
InChIKeyXVXDUWJDAATNHT-UHFFFAOYSA-N
XLogP4.74
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 66548650) is N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is COc1ccccc1Nc1cc2[nH]c(-c3cnn(CC(F)(F)F)c3)cc2cn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is XVXDUWJDAATNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-28-17-5-3-2-4-14(17)26-18-7-16-12(8-23-18)6-15(25-16)13-9-24-27(10-13)11-19(20,21)22/h2-10,25H,11H2,1H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 387.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66548650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).