N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C24H25FN6O3 — CID 122638593

IUPACN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C24H25FN6O3/c1-2-33-17-7-5-16(6-8-17)31-14-19(23(30-31)22-18(25)4-3-11-26-22)29-24(32)21-10-9-20(34-21)15-12-27-28-13-15/h3-4,9-14,16-17H,2,5-8H2,1H3,(H,27,28)(H,29,32)
InChIKeyZFCSAUUQXIBQDP-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.84
Rot. Bonds7

About N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 122638593) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID122638593
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ncccc3F)n2)CC1
InChIInChI=1S/C24H25FN6O3/c1-2-33-17-7-5-16(6-8-17)31-14-19(23(30-31)22-18(25)4-3-11-26-22)29-24(32)21-10-9-20(34-21)15-12-27-28-13-15/h3-4,9-14,16-17H,2,5-8H2,1H3,(H,27,28)(H,29,32)
InChIKeyZFCSAUUQXIBQDP-UHFFFAOYSA-N
XLogP4.84
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-carboxamide deriv., 26
CID 44236909
Furan-2-carboxamide deriv., 28
CID 44236911
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
4-(1-benzofuran-2-carbonylamino)-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714274
N-(4-methoxycyclohexyl)-4-[(5-phenylfuran-2-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 118714278
N-(3-{N-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]ethanehydrazonoyl}phenyl)nicotinamide
CID 9663070
5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-4-[(propan-2-ylamino)methyl]furan-2-carboxamide
CID 53464283
5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 53464348
N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129032606
ALP-POS-b0bc6a46-16
CID 156906944
4-[[5-(2-Methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide
CID 171357285

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 122638593) is N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is CCOC1CCC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ncccc3F)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is ZFCSAUUQXIBQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-2-33-17-7-5-16(6-8-17)31-14-19(23(30-31)22-18(25)4-3-11-26-22)29-24(32)21-10-9-20(34-21)15-12-27-28-13-15/h3-4,9-14,16-17H,2,5-8H2,1H3,(H,27,28)(H,29,32).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122638593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).