7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C24H26FN7O2 — CID 156567007

IUPAC7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12
InChIInChI=1S/C24H26FN7O2/c1-27-24(33)16-11-29-22(26)21-15(16)10-18(30-21)20-17(25)8-13(23-28-5-7-31(23)2)9-19(20)32-6-4-14(12-32)34-3/h5,7-11,14,30H,4,6,12H2,1-3H3,(H2,26,29)(H,27,33)/t14-/m1/s1
InChIKeyRQZNOJOIMAKUCE-CQSZACIVSA-N
MW463.52 g/mol
LogP2.94
Rot. Bonds5

About 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 156567007) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID156567007
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12
InChIInChI=1S/C24H26FN7O2/c1-27-24(33)16-11-29-22(26)21-15(16)10-18(30-21)20-17(25)8-13(23-28-5-7-31(23)2)9-19(20)32-6-4-14(12-32)34-3/h5,7-11,14,30H,4,6,12H2,1-3H3,(H2,26,29)(H,27,33)/t14-/m1/s1
InChIKeyRQZNOJOIMAKUCE-CQSZACIVSA-N
XLogP2.94
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 156567007) is 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.
What is the InChIKey of 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is RQZNOJOIMAKUCE-CQSZACIVSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-27-24(33)16-11-29-22(26)21-15(16)10-18(30-21)20-17(25)8-13(23-28-5-7-31(23)2)9-19(20)32-6-4-14(12-32)34-3/h5,7-11,14,30H,4,6,12H2,1-3H3,(H2,26,29)(H,27,33)/t14-/m1/s1.
What are the key properties of 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 156567007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).