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

C29H31FN6O3S — CID 176688312

IUPACN-[2-fluoro-3-methyl-4-[3-[2-[[(3S)-piperidin-3-yl]amino]-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]-2-methylcyclopropane-1-sulfonamide
SMILESCc1c(F)c(NS(=O)(=O)C2CC2C)c2ccccc2c1Oc1nccnc1-c1ccnc(N[C@H]2CCCNC2)c1
InChIInChI=1S/C29H31FN6O3S/c1-17-14-23(17)40(37,38)36-27-21-7-3-4-8-22(21)28(18(2)25(27)30)39-29-26(33-12-13-34-29)19-9-11-32-24(15-19)35-20-6-5-10-31-16-20/h3-4,7-9,11-13,15,17,20,23,31,36H,5-6,10,14,16H2,1-2H3,(H,32,35)/t17?,20-,23?/m0/s1
InChIKeyLODFVCWZIZOIOW-GTPZEUEISA-N
MW562.67 g/mol
LogP5.25
Rot. Bonds8

About 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

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 (PubChem CID 176688312) has the molecular formula C29H31FN6O3S and a molecular weight of 562.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-4-[3-[2-[[(3S)-piperidin-3-yl]amino]-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]-2-methylcyclopropane-1-sulfonamide
PubChem CID176688312
Molecular FormulaC29H31FN6O3S
Molecular Weight562.67 g/mol
Exact Mass562.22
IUPAC NameN-[2-fluoro-3-methyl-4-[3-[2-[[(3S)-piperidin-3-yl]amino]-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]-2-methylcyclopropane-1-sulfonamide
SMILESCc1c(F)c(NS(=O)(=O)C2CC2C)c2ccccc2c1Oc1nccnc1-c1ccnc(N[C@H]2CCCNC2)c1
InChIInChI=1S/C29H31FN6O3S/c1-17-14-23(17)40(37,38)36-27-21-7-3-4-8-22(21)28(18(2)25(27)30)39-29-26(33-12-13-34-29)19-9-11-32-24(15-19)35-20-6-5-10-31-16-20/h3-4,7-9,11-13,15,17,20,23,31,36H,5-6,10,14,16H2,1-2H3,(H,32,35)/t17?,20-,23?/m0/s1
InChIKeyLODFVCWZIZOIOW-GTPZEUEISA-N
XLogP5.25
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-[2-fluoro-3-methyl-4-[3-[2-(piperidin-3-ylamino)-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]cyclopropanesulfonamide
CID 176688316
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
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
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
2,3-dimethyl-N-piperidin-3-ylpyridin-4-amine
CID 83833082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(F)c(NS(=O)(=O)C2CC2C)c2ccccc2c1Oc1nccnc1-c1ccnc(N[C@H]2CCCNC2)c1.
What is the InChIKey of 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?
The InChIKey is LODFVCWZIZOIOW-GTPZEUEISA-N. The full InChI is InChI=1S/C29H31FN6O3S/c1-17-14-23(17)40(37,38)36-27-21-7-3-4-8-22(21)28(18(2)25(27)30)39-29-26(33-12-13-34-29)19-9-11-32-24(15-19)35-20-6-5-10-31-16-20/h3-4,7-9,11-13,15,17,20,23,31,36H,5-6,10,14,16H2,1-2H3,(H,32,35)/t17?,20-,23?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 562.67 g/mol, XLogP of 5.25, 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-[[(3S)-piperidin-3-yl]amino]-4-pyridinyl]pyrazin-2-yl]oxynaphthalen-1-yl]-2-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 176688312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).