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

C27H18N6O — CID 11978921

IUPACN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1c[nH]c2ncccc12
InChIInChI=1S/C27H18N6O/c34-27(20-13-30-25-17(20)9-4-11-29-25)33-24-16-6-2-1-5-15(16)23-18(24)7-3-8-19(23)26-31-21-10-12-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)
InChIKeyUEVNRTAOKKGELH-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.00
Rot. Bonds3

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

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11978921) has the molecular formula C27H18N6O and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11978921
Molecular FormulaC27H18N6O
Molecular Weight442.48 g/mol
Exact Mass442.15
IUPAC NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1c[nH]c2ncccc12
InChIInChI=1S/C27H18N6O/c34-27(20-13-30-25-17(20)9-4-11-29-25)33-24-16-6-2-1-5-15(16)23-18(24)7-3-8-19(23)26-31-21-10-12-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)
InChIKeyUEVNRTAOKKGELH-UHFFFAOYSA-N
XLogP5.00
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11978921) is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[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]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1c[nH]c2ncccc12.
What is the InChIKey of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is UEVNRTAOKKGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O/c34-27(20-13-30-25-17(20)9-4-11-29-25)33-24-16-6-2-1-5-15(16)23-18(24)7-3-8-19(23)26-31-21-10-12-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34).
What are the key properties of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 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]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11978921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).