5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid

C23H26N6O5 — CID 122638653

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid
SMILESCCOCCn1cc(NC(=O)c2ccc(-c3c(C)n[nH]c3C)o2)c(-c2ccccn2)n1.O=CO
InChIInChI=1S/C22H24N6O3.CH2O2/c1-4-30-12-11-28-13-17(21(27-28)16-7-5-6-10-23-16)24-22(29)19-9-8-18(31-19)20-14(2)25-26-15(20)3;2-1-3/h5-10,13H,4,11-12H2,1-3H3,(H,24,29)(H,25,26);1H,(H,2,3)
InChIKeyOBDNEQOLXHJRTI-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.53
Rot. Bonds8

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid

5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid (PubChem CID 122638653) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid
PubChem CID122638653
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid
SMILESCCOCCn1cc(NC(=O)c2ccc(-c3c(C)n[nH]c3C)o2)c(-c2ccccn2)n1.O=CO
InChIInChI=1S/C22H24N6O3.CH2O2/c1-4-30-12-11-28-13-17(21(27-28)16-7-5-6-10-23-16)24-22(29)19-9-8-18(31-19)20-14(2)25-26-15(20)3;2-1-3/h5-10,13H,4,11-12H2,1-3H3,(H,24,29)(H,25,26);1H,(H,2,3)
InChIKeyOBDNEQOLXHJRTI-UHFFFAOYSA-N
XLogP3.53
TPSA148.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tris[[4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638556
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
ditert-butyl [4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl phosphate
CID 122644455
tert-butyl [4-[5-[[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl hydrogen phosphate
CID 122644464
N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(5-methyl-1H-pyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 158122369
[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]amino]-[5-(1H-pyrazol-4-yl)furan-2-yl]methanol
CID 163821252
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325
[4-[5-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 122638673
N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane
CID 161328772
[4-[5-[[1-(3-ethoxycyclobutyl)-3-[5-[1-[2-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]ethoxy]ethyl]-2-pyridinyl]pyrazol-4-yl]carbamoyl]furan-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 134544220
N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid
CID 175731569
formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 175188659

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid (CID 122638653) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid is CCOCCn1cc(NC(=O)c2ccc(-c3c(C)n[nH]c3C)o2)c(-c2ccccn2)n1.O=CO.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid?
The InChIKey is OBDNEQOLXHJRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3.CH2O2/c1-4-30-12-11-28-13-17(21(27-28)16-7-5-6-10-23-16)24-22(29)19-9-8-18(31-19)20-14(2)25-26-15(20)3;2-1-3/h5-10,13H,4,11-12H2,1-3H3,(H,24,29)(H,25,26);1H,(H,2,3).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid?
5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid has a molecular weight of 466.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide;formic acid is sourced from PubChem (CID 122638653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).