N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide

C20H19ClN4O4S — CID 163378925

IUPACN-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)cnc4o2)C3)ccn1
InChIInChI=1S/C20H19ClN4O4S/c1-30(27,28)16-4-11(2-3-22-16)17(26)24-14-8-20(9-14)6-12(7-20)18-25-15-5-13(21)10-23-19(15)29-18/h2-5,10,12,14H,6-9H2,1H3,(H,24,26)
InChIKeyCFTXYDHYURCZGM-UHFFFAOYSA-N
MW446.92 g/mol
LogP3.13
Rot. Bonds4

About N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide

N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 163378925) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID163378925
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC NameN-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)cnc4o2)C3)ccn1
InChIInChI=1S/C20H19ClN4O4S/c1-30(27,28)16-4-11(2-3-22-16)17(26)24-14-8-20(9-14)6-12(7-20)18-25-15-5-13(21)10-23-19(15)29-18/h2-5,10,12,14H,6-9H2,1H3,(H,24,26)
InChIKeyCFTXYDHYURCZGM-UHFFFAOYSA-N
XLogP3.13
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]carbamoyl]pyridine-2-carboxylate
CID 163378961
N-[6-(5-chloro-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-(methylsulfonimidoyl)pyridine-4-carboxamide
CID 168664505
2-acetyl-N-[6-(1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]pyridine-4-carboxamide
CID 170201700
N-[6-(5-chloro-1,3-benzothiazol-2-yl)spiro[3.3]heptan-2-yl]-2-(methanesulfonamido)pyridine-4-carboxamide
CID 175922324
N-[(6R)-2-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.4]oct-7-en-6-yl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide
CID 174010065
3-bromo-N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]furan-2-carboxamide
CID 163379254
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167088173
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(oxetan-3-ylmethylsulfonimidoyl)furan-2-carboxamide
CID 163379116
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(cyclopropylsulfonylmethyl)furan-2-carboxamide
CID 163379209
4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
CID 167088262
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide
CID 163379189
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carboxamide
CID 163379207

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide (CID 163378925) is N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide is CS(=O)(=O)c1cc(C(=O)NC2CC3(C2)CC(c2nc4cc(Cl)cnc4o2)C3)ccn1.
What is the InChIKey of N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is CFTXYDHYURCZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-30(27,28)16-4-11(2-3-22-16)17(26)24-14-8-20(9-14)6-12(7-20)18-25-15-5-13(21)10-23-19(15)29-18/h2-5,10,12,14H,6-9H2,1H3,(H,24,26).
What are the key properties of N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide?
N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 446.92 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.3]heptan-2-yl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 163378925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).