2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

C20H17F2N5O — CID 147060971

IUPAC2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESNc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(C(F)F)cc2C1
InChIInChI=1S/C20H17F2N5O/c21-20(22)18-6-13-10-27(11-14(13)9-25-18)19(28)7-17-15(23)3-4-16(26-17)12-2-1-5-24-8-12/h1-6,8-9,20H,7,10-11,23H2
InChIKeyBDDXCHKIYKQJRQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (PubChem CID 147060971) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
PubChem CID147060971
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESNc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(C(F)F)cc2C1
InChIInChI=1S/C20H17F2N5O/c21-20(22)18-6-13-10-27(11-14(13)9-25-18)19(28)7-17-15(23)3-4-16(26-17)12-2-1-5-24-8-12/h1-6,8-9,20H,7,10-11,23H2
InChIKeyBDDXCHKIYKQJRQ-UHFFFAOYSA-N
XLogP3.14
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (CID 147060971) is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The canonical SMILES for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(C(F)F)cc2C1.
What is the InChIKey of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The InChIKey is BDDXCHKIYKQJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c21-20(22)18-6-13-10-27(11-14(13)9-25-18)19(28)7-17-15(23)3-4-16(26-17)12-2-1-5-24-8-12/h1-6,8-9,20H,7,10-11,23H2.
What are the key properties of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone has a molecular weight of 381.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 147060971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).