N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide

C28H29FN6O3S — CID 176688316

IUPACN-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide
SMILESCc1c(F)c(NS(=O)(=O)C2CC2)c2ccccc2c1Oc1nccnc1-c1ccnc(NC2CCCNC2)c1
InChIInChI=1S/C28H29FN6O3S/c1-17-24(29)26(35-39(36,37)20-8-9-20)21-6-2-3-7-22(21)27(17)38-28-25(32-13-14-33-28)18-10-12-31-23(15-18)34-19-5-4-11-30-16-19/h2-3,6-7,10,12-15,19-20,30,35H,4-5,8-9,11,16H2,1H3,(H,31,34)
InChIKeyROMSQAMWUKINLV-UHFFFAOYSA-N
MW548.64 g/mol
LogP5.00
Rot. Bonds8

About N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide

N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide (PubChem CID 176688316) has the molecular formula C28H29FN6O3S and a molecular weight of 548.64 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide
PubChem CID176688316
Molecular FormulaC28H29FN6O3S
Molecular Weight548.64 g/mol
Exact Mass548.20
IUPAC NameN-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide
SMILESCc1c(F)c(NS(=O)(=O)C2CC2)c2ccccc2c1Oc1nccnc1-c1ccnc(NC2CCCNC2)c1
InChIInChI=1S/C28H29FN6O3S/c1-17-24(29)26(35-39(36,37)20-8-9-20)21-6-2-3-7-22(21)27(17)38-28-25(32-13-14-33-28)18-10-12-31-23(15-18)34-19-5-4-11-30-16-19/h2-3,6-7,10,12-15,19-20,30,35H,4-5,8-9,11,16H2,1H3,(H,31,34)
InChIKeyROMSQAMWUKINLV-UHFFFAOYSA-N
XLogP5.00
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-fluoro-3-methyl-4-[3-[2-[[(3S)-piperidin-3-yl]amino]-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]-2-methylcyclopropane-1-sulfonamide
CID 176688312
3,3,3-trifluoro-N-[2-fluoro-4-[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]-4-pyridinyl]pyrazin-2-yl]oxy-3-methylnaphthalen-1-yl]propane-1-sulfonamide
CID 176688314
2-methyl-N-[3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]propane-2-sulfonamide
CID 176688289
N-[4-[3-[2-[(5-fluoropiperidin-3-yl)amino]-4-pyridinyl]pyrazin-2-yl]oxy-3-methylnaphthalen-1-yl]methanesulfonamide
CID 176688384
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidine-1-sulfonamide;hydrochloride
CID 135326877
N-piperidin-3-ylpyridin-2-amine
CID 63321128
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
N-[6-fluoro-2,3-dimethyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1-phenylmethanesulfonamide
CID 146451610
4-[2-[6-fluoro-2-methyl-5-[[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]naphthalen-1-yl]oxy-3-pyridinyl]-2-[[(3S)-piperidin-3-yl]amino]pyrimidine
CID 135327012
2-chloro-N-[2-fluoro-4-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyrazin-2-yl]oxyphenyl]benzenesulfonamide
CID 146425452
N-[3-methyl-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-phenylmethanesulfonamide
CID 135327877

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide?
The IUPAC name of N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide (CID 176688316) is N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide is Cc1c(F)c(NS(=O)(=O)C2CC2)c2ccccc2c1Oc1nccnc1-c1ccnc(NC2CCCNC2)c1.
What is the InChIKey of N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide?
The InChIKey is ROMSQAMWUKINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3S/c1-17-24(29)26(35-39(36,37)20-8-9-20)21-6-2-3-7-22(21)27(17)38-28-25(32-13-14-33-28)18-10-12-31-23(15-18)34-19-5-4-11-30-16-19/h2-3,6-7,10,12-15,19-20,30,35H,4-5,8-9,11,16H2,1H3,(H,31,34).
What are the key properties of N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide?
N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide has a molecular weight of 548.64 g/mol, XLogP of 5.00, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide is sourced from PubChem (CID 176688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).