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

C18H15F2N5O — CID 66548653

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1ccccc1Nc1cc2[nH]c(-c3cnn(C(F)F)c3)cc2cn1
InChIInChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24)
InChIKeyUNVSMSCAFUYXNO-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.57
Rot. Bonds5

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

2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66548653) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID66548653
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1ccccc1Nc1cc2[nH]c(-c3cnn(C(F)F)c3)cc2cn1
InChIInChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24)
InChIKeyUNVSMSCAFUYXNO-UHFFFAOYSA-N
XLogP4.57
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 66548653) is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine is COc1ccccc1Nc1cc2[nH]c(-c3cnn(C(F)F)c3)cc2cn1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is UNVSMSCAFUYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-26-16-5-3-2-4-13(16)24-17-7-15-11(8-21-17)6-14(23-15)12-9-22-25(10-12)18(19)20/h2-10,18,23H,1H3,(H,21,24).
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 355.35 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66548653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).