N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C20H17F2N5O — CID 137495563

IUPACN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2
InChIInChI=1S/C20H17F2N5O/c1-11-6-12-9-27(10-13(12)8-24-11)20(28)26-19-17(23)4-5-18(25-19)15-3-2-14(21)7-16(15)22/h2-8H,9-10,23H2,1H3,(H,25,26,28)
InChIKeyFOJUJNQDHNOTIL-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.86
Rot. Bonds2

About N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 137495563) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID137495563
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2
InChIInChI=1S/C20H17F2N5O/c1-11-6-12-9-27(10-13(12)8-24-11)20(28)26-19-17(23)4-5-18(25-19)15-3-2-14(21)7-16(15)22/h2-8H,9-10,23H2,1H3,(H,25,26,28)
InChIKeyFOJUJNQDHNOTIL-UHFFFAOYSA-N
XLogP3.86
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 137495563) is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is Cc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2.
What is the InChIKey of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is FOJUJNQDHNOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-11-6-12-9-27(10-13(12)8-24-11)20(28)26-19-17(23)4-5-18(25-19)15-3-2-14(21)7-16(15)22/h2-8H,9-10,23H2,1H3,(H,25,26,28).
What are the key properties of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 137495563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).