N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C28H20N6O — CID 11979037

IUPACN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)c2cccnc21
InChIInChI=1S/C28H20N6O/c1-34-15-21(18-10-5-12-30-27(18)34)28(35)33-25-17-7-3-2-6-16(17)24-19(25)8-4-9-20(24)26-31-22-11-13-29-14-23(22)32-26/h2-15,25H,1H3,(H,31,32)(H,33,35)
InChIKeyAGZYCGKGJMEILC-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.01
Rot. Bonds3

About N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11979037) has the molecular formula C28H20N6O and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11979037
Molecular FormulaC28H20N6O
Molecular Weight456.51 g/mol
Exact Mass456.17
IUPAC NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)c2cccnc21
InChIInChI=1S/C28H20N6O/c1-34-15-21(18-10-5-12-30-27(18)34)28(35)33-25-17-7-3-2-6-16(17)24-19(25)8-4-9-20(24)26-31-22-11-13-29-14-23(22)32-26/h2-15,25H,1H3,(H,31,32)(H,33,35)
InChIKeyAGZYCGKGJMEILC-UHFFFAOYSA-N
XLogP5.01
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 11979037) is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cn1cc(C(=O)NC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)c2cccnc21.
What is the InChIKey of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is AGZYCGKGJMEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O/c1-34-15-21(18-10-5-12-30-27(18)34)28(35)33-25-17-7-3-2-6-16(17)24-19(25)8-4-9-20(24)26-31-22-11-13-29-14-23(22)32-26/h2-15,25H,1H3,(H,31,32)(H,33,35).
What are the key properties of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11979037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).