(2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide

C23H26N6O4S — CID 67490060

IUPAC(2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide
SMILESCn1ccc(NC(=O)[C@@H](CC2CCOCC2)n2ncc3c(S(=O)(=O)C4CC4)cc(C#N)cc32)n1
InChIInChI=1S/C23H26N6O4S/c1-28-7-4-22(27-28)26-23(30)20(10-15-5-8-33-9-6-15)29-19-11-16(13-24)12-21(18(19)14-25-29)34(31,32)17-2-3-17/h4,7,11-12,14-15,17,20H,2-3,5-6,8-10H2,1H3,(H,26,27,30)/t20-/m1/s1
InChIKeyULXURVLBRLWSKR-HXUWFJFHSA-N
MW482.57 g/mol
LogP2.57
Rot. Bonds7

About (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide

(2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide (PubChem CID 67490060) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide
PubChem CID67490060
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name(2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide
SMILESCn1ccc(NC(=O)[C@@H](CC2CCOCC2)n2ncc3c(S(=O)(=O)C4CC4)cc(C#N)cc32)n1
InChIInChI=1S/C23H26N6O4S/c1-28-7-4-22(27-28)26-23(30)20(10-15-5-8-33-9-6-15)29-19-11-16(13-24)12-21(18(19)14-25-29)34(31,32)17-2-3-17/h4,7,11-12,14-15,17,20H,2-3,5-6,8-10H2,1H3,(H,26,27,30)/t20-/m1/s1
InChIKeyULXURVLBRLWSKR-HXUWFJFHSA-N
XLogP2.57
TPSA131.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-cyclopropylsulfanylpyrazolo[3,4-b]pyridin-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide
CID 143895903
methyl 2-[4-cyclopropylsulfonyl-6-(difluoromethoxy)indazol-1-yl]-3-(oxan-4-yl)propanoate
CID 70660422
6-[3-(4-cyclopropylsulfonylindazol-1-yl)-4-(oxan-4-yl)-2-oxobutyl]pyridine-3-carbonitrile
CID 161437252
(2R)-2-[(4-cyclopropylsulfonyl-3-methanimidoyl-2-pyridinyl)amino]-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide
CID 87420187
3-(4-cyclopropylsulfonyl-6-nitropyrazolo[5,4-b]pyridin-1-yl)-1-(1-methylpyrazol-3-yl)-4-(oxan-4-yl)butan-2-one
CID 159613667
(2S)-2-(4-cyclopropylsulfonylpyrazolo[3,4-c]pyridin-1-yl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 56968094
3-(4-cyclopropylsulfonyl-6-methylindazol-1-yl)-1-(5-fluoro-1,3-thiazol-2-yl)-4-(oxan-4-yl)butan-2-one
CID 162081657
3-(6-chloro-4-cyclopropylsulfonylindazol-1-yl)-1-(5-fluoro-1,3-thiazol-2-yl)-4-(oxan-4-yl)butan-2-one
CID 157477587
2-(3-cyclopropylsulfonyl-2-methanimidoyl-4-methoxyanilino)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide;ethane
CID 143895872
(3R)-3-(4-cyclopropylsulfonyl-6-isocyanoindazol-1-yl)-1-(5-fluoro-1,3-thiazol-2-yl)-4-(oxan-4-yl)butan-2-one
CID 158776974
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 67312887
2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 67435318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide (CID 67490060) is (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide is Cn1ccc(NC(=O)[C@@H](CC2CCOCC2)n2ncc3c(S(=O)(=O)C4CC4)cc(C#N)cc32)n1.
What is the InChIKey of (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is ULXURVLBRLWSKR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-28-7-4-22(27-28)26-23(30)20(10-15-5-8-33-9-6-15)29-19-11-16(13-24)12-21(18(19)14-25-29)34(31,32)17-2-3-17/h4,7,11-12,14-15,17,20H,2-3,5-6,8-10H2,1H3,(H,26,27,30)/t20-/m1/s1.
What are the key properties of (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide?
(2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 482.57 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-cyano-4-cyclopropylsulfonylindazol-1-yl)-N-(1-methylpyrazol-3-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 67490060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).