N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

C25H17F3N6O3 — CID 11978558

IUPACN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1cn[nH]c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H16N6O.C2HF3O2/c30-23(13-10-25-26-11-13)29-21-15-5-2-1-4-14(15)20-16(21)6-3-7-17(20)22-27-18-8-9-24-12-19(18)28-22;3-2(4,5)1(6)7/h1-12,21H,(H,25,26)(H,27,28)(H,29,30);(H,6,7)
InChIKeyACJIYIHKQLYICZ-UHFFFAOYSA-N
MW506.44 g/mol
LogP4.48
Rot. Bonds3

About N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 11978558) has the molecular formula C25H17F3N6O3 and a molecular weight of 506.44 g/mol. Its IUPAC name is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID11978558
Molecular FormulaC25H17F3N6O3
Molecular Weight506.44 g/mol
Exact Mass506.13
IUPAC NameN-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1cn[nH]c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H16N6O.C2HF3O2/c30-23(13-10-25-26-11-13)29-21-15-5-2-1-4-14(15)20-16(21)6-3-7-17(20)22-27-18-8-9-24-12-19(18)28-22;3-2(4,5)1(6)7/h1-12,21H,(H,25,26)(H,27,28)(H,29,30);(H,6,7)
InChIKeyACJIYIHKQLYICZ-UHFFFAOYSA-N
XLogP4.48
TPSA136.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.44
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridazine-4-carboxamide
CID 72531299
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
CID 11978794
N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 90843396
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]quinoline-5-carbothioamide;2,2,2-trifluoroacetic acid
CID 11978674
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 59208239
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
CID 59208238
N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide
CID 90910316
2-(6-chloro-3-pyridinyl)-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]acetamide
CID 59208256
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methyl-1,5,6,7,8,8a-hexahydroquinoline-5-carboxamide
CID 143330791
N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
CID 174548407
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine
CID 143330735

Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 11978558) is N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)c1cn[nH]c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ACJIYIHKQLYICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O.C2HF3O2/c30-23(13-10-25-26-11-13)29-21-15-5-2-1-4-14(15)20-16(21)6-3-7-17(20)22-27-18-8-9-24-12-19(18)28-22;3-2(4,5)1(6)7/h1-12,21H,(H,25,26)(H,27,28)(H,29,30);(H,6,7).
What are the key properties of N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 506.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 4 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]-1H-pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11978558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).