N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide

C29H33N7O5S — CID 165113630

IUPACN-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCN1CCC(Oc2ccc(Nc3ccc(Oc4nc(N5CCOCC5)cc5ncc(NS(C)(=O)=O)cc45)cc3)nc2)C1
InChIInChI=1S/C29H33N7O5S/c1-35-10-9-24(19-35)40-23-7-8-27(31-18-23)32-20-3-5-22(6-4-20)41-29-25-15-21(34-42(2,37)38)17-30-26(25)16-28(33-29)36-11-13-39-14-12-36/h3-8,15-18,24,34H,9-14,19H2,1-2H3,(H,31,32)
InChIKeyQMFQCOUMGXLIEN-UHFFFAOYSA-N
MW591.69 g/mol
LogP3.85
Rot. Bonds9

About N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide

N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 165113630) has the molecular formula C29H33N7O5S and a molecular weight of 591.69 g/mol. Its IUPAC name is N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
PubChem CID165113630
Molecular FormulaC29H33N7O5S
Molecular Weight591.69 g/mol
Exact Mass591.23
IUPAC NameN-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCN1CCC(Oc2ccc(Nc3ccc(Oc4nc(N5CCOCC5)cc5ncc(NS(C)(=O)=O)cc45)cc3)nc2)C1
InChIInChI=1S/C29H33N7O5S/c1-35-10-9-24(19-35)40-23-7-8-27(31-18-23)32-20-3-5-22(6-4-20)41-29-25-15-21(34-42(2,37)38)17-30-26(25)16-28(33-29)36-11-13-39-14-12-36/h3-8,15-18,24,34H,9-14,19H2,1-2H3,(H,31,32)
InChIKeyQMFQCOUMGXLIEN-UHFFFAOYSA-N
XLogP3.85
TPSA131.04 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.69
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (CID 165113630) is N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is CN1CCC(Oc2ccc(Nc3ccc(Oc4nc(N5CCOCC5)cc5ncc(NS(C)(=O)=O)cc45)cc3)nc2)C1.
What is the InChIKey of N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The InChIKey is QMFQCOUMGXLIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O5S/c1-35-10-9-24(19-35)40-23-7-8-27(31-18-23)32-20-3-5-22(6-4-20)41-29-25-15-21(34-42(2,37)38)17-30-26(25)16-28(33-29)36-11-13-39-14-12-36/h3-8,15-18,24,34H,9-14,19H2,1-2H3,(H,31,32).
What are the key properties of N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 591.69 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]phenoxy]-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 165113630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).