(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide

C29H33FN6O4S — CID 135326657

IUPAC(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12
InChIInChI=1S/C29H33FN6O4S/c1-18-8-9-21-22(10-11-24(30)26(21)36-41(37,38)17-19(2)39-3)27(18)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-16-20/h5,7-12,14-15,19-20,31,36H,4,6,13,16-17H2,1-3H3,(H,33,34,35)/t19-,20+/m1/s1
InChIKeyWKOIHVBZGXIPJQ-UXHICEINSA-N
MW580.69 g/mol
LogP4.87
Rot. Bonds10

About (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide

(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide (PubChem CID 135326657) has the molecular formula C29H33FN6O4S and a molecular weight of 580.69 g/mol. Its IUPAC name is (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide
PubChem CID135326657
Molecular FormulaC29H33FN6O4S
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12
InChIInChI=1S/C29H33FN6O4S/c1-18-8-9-21-22(10-11-24(30)26(21)36-41(37,38)17-19(2)39-3)27(18)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-16-20/h5,7-12,14-15,19-20,31,36H,4,6,13,16-17H2,1-3H3,(H,33,34,35)/t19-,20+/m1/s1
InChIKeyWKOIHVBZGXIPJQ-UXHICEINSA-N
XLogP4.87
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.69
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide (CID 135326657) is (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)Nc1c(F)ccc2c(Oc3ncccc3-c3ccnc(N[C@H]4CCCNC4)n3)c(C)ccc12.
What is the InChIKey of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide?
The InChIKey is WKOIHVBZGXIPJQ-UXHICEINSA-N. The full InChI is InChI=1S/C29H33FN6O4S/c1-18-8-9-21-22(10-11-24(30)26(21)36-41(37,38)17-19(2)39-3)27(18)40-28-23(7-5-14-32-28)25-12-15-33-29(35-25)34-20-6-4-13-31-16-20/h5,7-12,14-15,19-20,31,36H,4,6,13,16-17H2,1-3H3,(H,33,34,35)/t19-,20+/m1/s1.
What are the key properties of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide?
(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide has a molecular weight of 580.69 g/mol, XLogP of 4.87, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 135326657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).