tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate

C24H25N7O4 — CID 122638728

IUPACtert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1
InChIInChI=1S/C24H25N7O4/c1-24(2,3)35-23(33)30-12-16(13-30)31-14-18(21(29-31)17-6-4-5-9-25-17)28-22(32)20-8-7-19(34-20)15-10-26-27-11-15/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)(H,28,32)
InChIKeySVOCMQXKZZPCAS-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.97
Rot. Bonds5

About tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate

tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate (PubChem CID 122638728) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
PubChem CID122638728
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Nametert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1
InChIInChI=1S/C24H25N7O4/c1-24(2,3)35-23(33)30-12-16(13-30)31-14-18(21(29-31)17-6-4-5-9-25-17)28-22(32)20-8-7-19(34-20)15-10-26-27-11-15/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)(H,28,32)
InChIKeySVOCMQXKZZPCAS-UHFFFAOYSA-N
XLogP3.97
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);5-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 158413605
N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 135258042
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
tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
CID 122644479
N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638580
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
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
N-[3-(6-fluoro-2-pyridinyl)-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638611
[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-[1-(oxolan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638589
N-[1-[(1R,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638714
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate (CID 122638728) is tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.
What is the InChIKey of tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate?
The InChIKey is SVOCMQXKZZPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-24(2,3)35-23(33)30-12-16(13-30)31-14-18(21(29-31)17-6-4-5-9-25-17)28-22(32)20-8-7-19(34-20)15-10-26-27-11-15/h4-11,14,16H,12-13H2,1-3H3,(H,26,27)(H,28,32).
What are the key properties of tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate?
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate has a molecular weight of 475.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 122638728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).