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

C21H20FN5O2 — CID 137495464

IUPACN-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOCc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccccc3F)ccc1N)C2
InChIInChI=1S/C21H20FN5O2/c1-29-12-15-8-13-10-27(11-14(13)9-24-15)21(28)26-20-18(23)6-7-19(25-20)16-4-2-3-5-17(16)22/h2-9H,10-12,23H2,1H3,(H,25,26,28)
InChIKeyUNWVLJQBVBOYQJ-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.56
Rot. Bonds4

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

N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 137495464) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID137495464
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOCc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccccc3F)ccc1N)C2
InChIInChI=1S/C21H20FN5O2/c1-29-12-15-8-13-10-27(11-14(13)9-24-15)21(28)26-20-18(23)6-7-19(25-20)16-4-2-3-5-17(16)22/h2-9H,10-12,23H2,1H3,(H,25,26,28)
InChIKeyUNWVLJQBVBOYQJ-UHFFFAOYSA-N
XLogP3.56
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 137495464) is N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is COCc1cc2c(cn1)CN(C(=O)Nc1nc(-c3ccccc3F)ccc1N)C2.
What is the InChIKey of N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is UNWVLJQBVBOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-29-12-15-8-13-10-27(11-14(13)9-24-15)21(28)26-20-18(23)6-7-19(25-20)16-4-2-3-5-17(16)22/h2-9H,10-12,23H2,1H3,(H,25,26,28).
What are the key properties of N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-6-(methoxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 137495464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).