2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C25H27N5O5S — CID 137406315

IUPAC2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCc1c(C(=O)NC2CC3(C2)CC(Oc2ncccc2C(N)=O)C3)cnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H27N5O5S/c1-15-21(14-28-30(15)17-5-7-19(8-6-17)36(2,33)34)23(32)29-16-10-25(11-16)12-18(13-25)35-24-20(22(26)31)4-3-9-27-24/h3-9,14,16,18H,10-13H2,1-2H3,(H2,26,31)(H,29,32)
InChIKeyWHOPKYDPHRFPRQ-UHFFFAOYSA-N
MW509.59 g/mol
LogP2.20
Rot. Bonds7

About 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 137406315) has the molecular formula C25H27N5O5S and a molecular weight of 509.59 g/mol. Its IUPAC name is 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID137406315
Molecular FormulaC25H27N5O5S
Molecular Weight509.59 g/mol
Exact Mass509.17
IUPAC Name2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCc1c(C(=O)NC2CC3(C2)CC(Oc2ncccc2C(N)=O)C3)cnn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H27N5O5S/c1-15-21(14-28-30(15)17-5-7-19(8-6-17)36(2,33)34)23(32)29-16-10-25(11-16)12-18(13-25)35-24-20(22(26)31)4-3-9-27-24/h3-9,14,16,18H,10-13H2,1-2H3,(H2,26,31)(H,29,32)
InChIKeyWHOPKYDPHRFPRQ-UHFFFAOYSA-N
XLogP2.20
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699738
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413453
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157022093
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-8-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide
CID 130248314
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157022094
2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 130248556
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 137413250
4-[6-[[1-(4-cyanophenyl)-5-methylpyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxy-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 156682681
2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207
ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate
CID 22267610

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 137406315) is 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is Cc1c(C(=O)NC2CC3(C2)CC(Oc2ncccc2C(N)=O)C3)cnn1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is WHOPKYDPHRFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5S/c1-15-21(14-28-30(15)17-5-7-19(8-6-17)36(2,33)34)23(32)29-16-10-25(11-16)12-18(13-25)35-24-20(22(26)31)4-3-9-27-24/h3-9,14,16,18H,10-13H2,1-2H3,(H2,26,31)(H,29,32).
What are the key properties of 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 137406315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).