N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C24H17N6O3+ — CID 123952912

IUPACN-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4cc[nH+]cc4[nH]3)cccc21)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C24H16N6O3/c31-19-10-17(28-24(33)29-19)23(32)30-21-13-5-2-1-4-12(13)20-14(21)6-3-7-15(20)22-26-16-8-9-25-11-18(16)27-22/h1-11,21H,(H,26,27)(H,30,32)(H2,28,29,31,33)/p+1
InChIKeySZNILGNJNNYGGE-UHFFFAOYSA-O
MW437.44 g/mol
LogP1.92
Rot. Bonds3

About N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 123952912) has the molecular formula C24H17N6O3+ and a molecular weight of 437.44 g/mol. Its IUPAC name is N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID123952912
Molecular FormulaC24H17N6O3+
Molecular Weight437.44 g/mol
Exact Mass437.14
IUPAC NameN-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4cc[nH+]cc4[nH]3)cccc21)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C24H16N6O3/c31-19-10-17(28-24(33)29-19)23(32)30-21-13-5-2-1-4-12(13)20-14(21)6-3-7-15(20)22-26-16-8-9-25-11-18(16)27-22/h1-11,21H,(H,26,27)(H,30,32)(H2,28,29,31,33)/p+1
InChIKeySZNILGNJNNYGGE-UHFFFAOYSA-O
XLogP1.92
TPSA137.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde
CID 123271573
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]pyridazine-4-carboxamide
CID 72531299
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 59208239
2-amino-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide
CID 11978794
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-methylquinoline-5-carboxamide
CID 59208238
N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15940908
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
N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide
CID 90910316
N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 90859906
N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 91578411

Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 123952912) is N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4cc[nH+]cc4[nH]3)cccc21)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is SZNILGNJNNYGGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16N6O3/c31-19-10-17(28-24(33)29-19)23(32)30-21-13-5-2-1-4-12(13)20-14(21)6-3-7-15(20)22-26-16-8-9-25-11-18(16)27-22/h1-11,21H,(H,26,27)(H,30,32)(H2,28,29,31,33)/p+1.
What are the key properties of N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 4 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-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 123952912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).